Chemical ID: 4178660

CN1CCN(CC1)Cc2ccccc2O
Chemical ID:
4178660
Name [?]:
2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILES [?]:
CN1CCN(CC1)Cc2ccccc2O
InChi [?]:
InChI=1/C12H18N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h2-5,15H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,3,7,4,6,8,9,14,2,5,15/E:(6,7)(8,9)/rA:15nCNCCNCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.26095
Area:380.582
Solvation:-2.2536
Coulombic:-26.7179
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.01
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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