(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one

C20H22N2O2 — CID 98444599

IUPAC(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccncc1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-19(7-6-16-8-12-21-13-9-16)22-14-10-18(11-15-22)20(24)17-4-2-1-3-5-17/h1-9,12-13,18,20,24H,10-11,14-15H2/b7-6-/t20-/m0/s1
InChIKeyPPVHROPUCLAWFI-HCZHMGAMSA-N
MW322.41 g/mol
LogP3.07
Rot. Bonds4

About (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one

(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 98444599) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
PubChem CID98444599
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccncc1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-19(7-6-16-8-12-21-13-9-16)22-14-10-18(11-15-22)20(24)17-4-2-1-3-5-17/h1-9,12-13,18,20,24H,10-11,14-15H2/b7-6-/t20-/m0/s1
InChIKeyPPVHROPUCLAWFI-HCZHMGAMSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 75407583
3-(furan-2-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 110887300
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 110887273
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
(E)-1-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 95980836
(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 75407584
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110887265
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one (CID 98444599) is (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one is O=C(/C=C\c1ccncc1)N1CCC([C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is PPVHROPUCLAWFI-HCZHMGAMSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(7-6-16-8-12-21-13-9-16)22-14-10-18(11-15-22)20(24)17-4-2-1-3-5-17/h1-9,12-13,18,20,24H,10-11,14-15H2/b7-6-/t20-/m0/s1.
What are the key properties of (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one?
(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 322.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 98444599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).