3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

C25H33N3O2 — CID 162673348

IUPAC3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H33N3O2/c29-24-8-6-23(7-9-24)27-16-18-28(19-17-27)25(30)12-15-26-13-10-22(11-14-26)20-21-4-2-1-3-5-21/h1-9,22,29H,10-20H2
InChIKeyYYNZGLNDSZAWCB-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.39
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one

3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 162673348) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID162673348
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H33N3O2/c29-24-8-6-23(7-9-24)27-16-18-28(19-17-27)25(30)12-15-26-13-10-22(11-14-26)20-21-4-2-1-3-5-21/h1-9,22,29H,10-20H2
InChIKeyYYNZGLNDSZAWCB-UHFFFAOYSA-N
XLogP3.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclopropyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 8933819
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722
4-(4-Hydroxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567550
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide
CID 126509634
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(4-methoxyphenyl)propanamide
CID 156782565
N-benzhydryl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2400963
N-(2-hydroxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741880
N,N-Diethyl-4-{[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl-methyl}-benzamide
CID 44276066
N-(1-benzylpiperidin-4-yl)-N-(4-hydroxyphenyl)benzamide
CID 44319339
4-(8-Benzhydryl-1,4-diaza-bicyclo[3.3.1]non-4-yl)-phenol
CID 44396662

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one (CID 162673348) is 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is YYNZGLNDSZAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c29-24-8-6-23(7-9-24)27-16-18-28(19-17-27)25(30)12-15-26-13-10-22(11-14-26)20-21-4-2-1-3-5-21/h1-9,22,29H,10-20H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one?
3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 407.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 162673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).