3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol

C26H31N3O — CID 90656670

IUPAC3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
SMILESOc1cccc(N(CCCN2CCN(c3ccccc3)CC2)Cc2ccccc2)c1
InChIInChI=1S/C26H31N3O/c30-26-14-7-13-25(21-26)29(22-23-9-3-1-4-10-23)16-8-15-27-17-19-28(20-18-27)24-11-5-2-6-12-24/h1-7,9-14,21,30H,8,15-20,22H2
InChIKeyOFXFSZOIQGIMSI-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.61
Rot. Bonds8

About 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol

3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol (PubChem CID 90656670) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol.

Molecular Properties

Compound Name3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
PubChem CID90656670
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
SMILESOc1cccc(N(CCCN2CCN(c3ccccc3)CC2)Cc2ccccc2)c1
InChIInChI=1S/C26H31N3O/c30-26-14-7-13-25(21-26)29(22-23-9-3-1-4-10-23)16-8-15-27-17-19-28(20-18-27)24-11-5-2-6-12-24/h1-7,9-14,21,30H,8,15-20,22H2
InChIKeyOFXFSZOIQGIMSI-UHFFFAOYSA-N
XLogP4.61
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
CID 90656671
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(4-phenylpiperazin-1-yl)propyl]phenyl]benzenesulfonamide
CID 22137393
benzyl-[3-[1,4,12-tris[3-[benzyl(carboxy)amino]propyl]-1,4,8,12-tetrazacyclopentadec-8-yl]propyl]carbamic acid
CID 57372008
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
N-benzyl-N-[5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentyl]-1,3-benzothiazol-2-amine
CID 12069892

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol?
The IUPAC name of 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol (CID 90656670) is 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol.
What is the SMILES notation for 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol?
The canonical SMILES for 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol is Oc1cccc(N(CCCN2CCN(c3ccccc3)CC2)Cc2ccccc2)c1.
What is the InChIKey of 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol?
The InChIKey is OFXFSZOIQGIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c30-26-14-7-13-25(21-26)29(22-23-9-3-1-4-10-23)16-8-15-27-17-19-28(20-18-27)24-11-5-2-6-12-24/h1-7,9-14,21,30H,8,15-20,22H2.
What are the key properties of 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol?
3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol has a molecular weight of 401.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol is sourced from PubChem (CID 90656670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).