2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C19H27FN2O — CID 60503854

IUPAC2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(c1ccccc1F)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27FN2O/c1-15(17-6-2-3-7-18(17)20)21-12-8-16(9-13-21)14-19(23)22-10-4-5-11-22/h2-3,6-7,15-16H,4-5,8-14H2,1H3
InChIKeyCBPIISJFNXMNNS-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.61
Rot. Bonds4

About 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 60503854) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID60503854
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(c1ccccc1F)N1CCC(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27FN2O/c1-15(17-6-2-3-7-18(17)20)21-12-8-16(9-13-21)14-19(23)22-10-4-5-11-22/h2-3,6-7,15-16H,4-5,8-14H2,1H3
InChIKeyCBPIISJFNXMNNS-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
CID 95899793
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 119877527
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47055282

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 60503854) is 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is CC(c1ccccc1F)N1CCC(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is CBPIISJFNXMNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-15(17-6-2-3-7-18(17)20)21-12-8-16(9-13-21)14-19(23)22-10-4-5-11-22/h2-3,6-7,15-16H,4-5,8-14H2,1H3.
What are the key properties of 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 318.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60503854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).