Chemical ID: 4253304

CNC(CN1CCN(CC1)C)c2ccccc2
Chemical ID:
4253304
Name [?]:
N-methyl-2-(4-methylpiperazin-1-yl)-1-phenyl-ethanamine
SMILES [?]:
CNC(CN1CCN(CC1)C)c2ccccc2
InChi [?]:
InChI=1/C14H23N3/c1-15-14(13-6-4-3-5-7-13)12-17-10-8-16(2)9-11-17/h3-7,14-15H,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,14,16,13,17,7,9,6,10,4,12,3,2,8,5/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCNCCNCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s3;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.87365
Area:430.408
Solvation:-1.88654
Coulombic:-20.1848
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.353
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.13
LogP (Chemaxon):1.42

Name Annotations

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Descriptor Annotations

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