Chemical ID: 5001952

CC(C)c1ccc(cc1)C(C)N2CCNCC2
Chemical ID:
5001952
Name [?]:
1-[1-(4-isopropylphenyl)ethyl]piperazine
SMILES [?]:
CC(C)c1ccc(cc1)C(C)N2CCNCC2
InChi [?]:
InChI=1/C15H24N2/c1-12(2)14-4-6-15(7-5-14)13(3)17-10-8-16-9-11-17/h4-7,12-13,16H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,5,9,6,8,14,16,13,17,2,10,4,7,15,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCCCCNCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.50377
Area:431.452
Solvation:-1.28253
Coulombic:-15.7789
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):2.98

Name Annotations

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Descriptor Annotations

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