Chemical ID: 7120348

c1ccc(cc1)N2CCN(CC2)CCN
Chemical ID:
7120348
Name [?]:
2-(4-phenylpiperazin-1-yl)ethanamine
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)CCN
InChi [?]:
InChI=1/C12H19N3/c13-6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5H,6-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,13,9,11,8,12,4,15,10,7/E:(2,3)(4,5)(8,9)(10,11)/rA:15nCCCCCCNCCNCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N3
All Atoms:34
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.91863
Area:391.888
Solvation:-1.87858
Coulombic:-24.5114
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.299
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.1
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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