Chemical ID: 5568247

CN1CCN(CC1)C(=O)C(Cc2ccccc2)N
Chemical ID:
5568247
Name [?]:
2-amino-1-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-one
SMILES [?]:
CN1CCN(CC1)C(=O)C(Cc2ccccc2)N
InChi [?]:
InChI=1/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,7,4,6,11,12,10,8,18,2,5,9/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCNCCNCCCOCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.10149
Area:435.445
Solvation:-2.78463
Coulombic:-34.3547
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.336
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.36
LogP (Chemaxon):0.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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