2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride

C26H34ClN3O2 — CID 6448143

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2.ClH/c30-25(22-28-16-13-26(31,14-17-28)24-11-5-2-6-12-24)29-20-18-27(19-21-29)15-7-10-23-8-3-1-4-9-23;/h1-12,31H,13-22H2;1H/b10-7+;
InChIKeyOBWKMGFZSPVJTI-HCUGZAAXSA-N
MW456.03 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride

2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride (PubChem CID 6448143) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride
PubChem CID6448143
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2.ClH/c30-25(22-28-16-13-26(31,14-17-28)24-11-5-2-6-12-24)29-20-18-27(19-21-29)15-7-10-23-8-3-1-4-9-23;/h1-12,31H,13-22H2;1H/b10-7+;
InChIKeyOBWKMGFZSPVJTI-HCUGZAAXSA-N
XLogP3.25
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
5-[(4-Hydroxy-4-phenyl-1-piperidinyl)carbonyl]-1-(2-phenylethyl)-2-piperidinone
CID 24792103
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 54581225
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1-methylpiperidin-2-yl)methanone
CID 54587109
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
CID 54587110
1-Piperazinepropanol, beta,4-dimethyl-alpha,alpha-diphenyl-
CID 199376
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
2-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3228776
4-hydroxy-N-methyl-4-phenyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579473
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride (CID 6448143) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is OBWKMGFZSPVJTI-HCUGZAAXSA-N. The full InChI is InChI=1S/C26H33N3O2.ClH/c30-25(22-28-16-13-26(31,14-17-28)24-11-5-2-6-12-24)29-20-18-27(19-21-29)15-7-10-23-8-3-1-4-9-23;/h1-12,31H,13-22H2;1H/b10-7+;.
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 456.03 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 6448143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).