1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

C16H22ClFN2 — CID 102616953

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESFc1ccc(Cl)c(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2
InChIKeyFBFOMHSLJBKCOV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine

1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 102616953) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID102616953
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
SMILESFc1ccc(Cl)c(CN2CCCC(C3CCCN3)C2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2
InChIKeyFBFOMHSLJBKCOV-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
1-[(2-bromo-5-chlorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 66156264
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
CID 104869103
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609
(4aS,7aS)-6-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346131
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-1,4-diazepane
CID 64869739
(4aS,7aS)-6-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103887190

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine (CID 102616953) is 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine is Fc1ccc(Cl)c(CN2CCCC(C3CCCN3)C2)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is FBFOMHSLJBKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-15-6-5-14(18)9-13(15)11-20-8-2-3-12(10-20)16-4-1-7-19-16/h5-6,9,12,16,19H,1-4,7-8,10-11H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine?
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 296.82 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 102616953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).