Chemical ID: 4334780

CC(C)N1CCN(CC1)Cc2cccc(c2)OC
Chemical ID:
4334780
Name [?]:
1-isopropyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILES [?]:
CC(C)N1CCN(CC1)Cc2cccc(c2)OC
InChi [?]:
InChI=1/C15H24N2O/c1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3/h4-6,11,13H,7-10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,13,12,14,6,8,5,9,16,10,2,11,15,7,4,17/E:(1,2)(7,8)(9,10)/rA:18nCCCNCCNCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.35687
Area:449.891
Solvation:-2.89041
Coulombic:-17.8571
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.21
LogP (Chemaxon):2.24

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Descriptor Annotations

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