2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone

C18H26N2O2 — CID 43013126

IUPAC2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCC(O)CC1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-16-9-13-19(14-10-16)17(15-7-3-1-4-8-15)18(22)20-11-5-2-6-12-20/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2
InChIKeyZOQWNQVYVHKQHZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone

2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 43013126) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID43013126
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCC(O)CC1)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c21-16-9-13-19(14-10-16)17(15-7-3-1-4-8-15)18(22)20-11-5-2-6-12-20/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2
InChIKeyZOQWNQVYVHKQHZ-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 126771039
N-methyl-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperidin-4-yl]methanesulfonamide
CID 48736574
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone (CID 43013126) is 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone is O=C(C(c1ccccc1)N1CCC(O)CC1)N1CCCCC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is ZOQWNQVYVHKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-16-9-13-19(14-10-16)17(15-7-3-1-4-8-15)18(22)20-11-5-2-6-12-20/h1,3-4,7-8,16-17,21H,2,5-6,9-14H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone?
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 43013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).