[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C16H22ClFN2O — CID 102560004

IUPAC[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-6-2-1-5-13(14)12-8-10-19(11-12)16(20)15-7-3-4-9-18-15;/h1-2,5-6,12,15,18H,3-4,7-11H2;1H
InChIKeyCYMONBZYFGVNSC-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.71
Rot. Bonds2

About [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 102560004) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID102560004
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C16H21FN2O.ClH/c17-14-6-2-1-5-13(14)12-8-10-19(11-12)16(20)15-7-3-4-9-18-15;/h1-2,5-6,12,15,18H,3-4,7-11H2;1H
InChIKeyCYMONBZYFGVNSC-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336209
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494430

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 102560004) is [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCCN1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is CYMONBZYFGVNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c17-14-6-2-1-5-13(14)12-8-10-19(11-12)16(20)15-7-3-4-9-18-15;/h1-2,5-6,12,15,18H,3-4,7-11H2;1H.
What are the key properties of [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 102560004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).