Chemical ID: 4772212

CC1CN(CCN1)Cc2ccccc2
Chemical ID:
4772212
Name [?]:
1-benzyl-3-methyl-piperazine
SMILES [?]:
CC1CN(CCN1)Cc2ccccc2
InChi [?]:
InChI=1/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,6,5,3,8,2,9,7,4/E:(3,4)(5,6)/rA:14cCCCNCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.31103
Area:369.454
Solvation:-1.92533
Coulombic:-14.4577
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.64
LogP (Chemaxon):1.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue