1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one

C18H26N2O2 — CID 87053357

IUPAC1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C18H26N2O2/c1-2-17(21)20-13-10-18(22,15-8-4-3-5-9-15)16(14-20)19-11-6-7-12-19/h3-5,8-9,16,22H,2,6-7,10-14H2,1H3/t16-,18?/m1/s1
InChIKeyLPVLVCZLGHIUIN-PYUWXLGESA-N
MW302.42 g/mol
LogP1.98
Rot. Bonds3

About 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one

1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one (PubChem CID 87053357) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
PubChem CID87053357
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C18H26N2O2/c1-2-17(21)20-13-10-18(22,15-8-4-3-5-9-15)16(14-20)19-11-6-7-12-19/h3-5,8-9,16,22H,2,6-7,10-14H2,1H3/t16-,18?/m1/s1
InChIKeyLPVLVCZLGHIUIN-PYUWXLGESA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-phenylacetamide
CID 49798129
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 54580223
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
Benzilamide, N-(2-(diethylamino)ethyl)-N-methyl-, monohydrochloride
CID 200225
Benzomethamine bromide
CID 19655
4-Methyl-alpha,alpha-diphenyl-1-piperazineethanol
CID 88951
N,N-Diethyl-2-((2-hydroxy-2,2-diphenylacetyl)methylamino)-N-methylethanaminium
CID 10520
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
N-tert-butyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 649927

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one (CID 87053357) is 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(O)(c2ccccc2)[C@H](N2CCCC2)C1.
What is the InChIKey of 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one?
The InChIKey is LPVLVCZLGHIUIN-PYUWXLGESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-17(21)20-13-10-18(22,15-8-4-3-5-9-15)16(14-20)19-11-6-7-12-19/h3-5,8-9,16,22H,2,6-7,10-14H2,1H3/t16-,18?/m1/s1.
What are the key properties of 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one?
1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 87053357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).