Chemical ID: 4171481

c1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)O
Chemical ID:
4171481
Name [?]:
4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)O
InChi [?]:
InChI=1/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,15,19,16,18,9,11,8,12,13,14,4,17,10,7,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCCCCCNCCNCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.81479
Area:466.932
Solvation:-2.85851
Coulombic:-29.1868
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):3.6

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Descriptor Annotations

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