1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine

C16H22ClFN2 — CID 63259218

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESFc1ccc(CN2CCC(C3CCCN3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2/c17-15-10-14(18)4-3-13(15)11-20-8-5-12(6-9-20)16-2-1-7-19-16/h3-4,10,12,16,19H,1-2,5-9,11H2
InChIKeyJTCRIZULYOEIQO-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259218) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
PubChem CID63259218
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
SMILESFc1ccc(CN2CCC(C3CCCN3)CC2)c(Cl)c1
InChIInChI=1S/C16H22ClFN2/c17-15-10-14(18)4-3-13(15)11-20-8-5-12(6-9-20)16-2-1-7-19-16/h3-4,10,12,16,19H,1-2,5-9,11H2
InChIKeyJTCRIZULYOEIQO-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

4-fluoro-2-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]phenol
CID 104869103
1-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 102616953
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
(4aS,7aS)-6-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 113346131
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
3-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 64870113
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119853322
(4aR,8aS)-6-[(2-chloro-6-fluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 146040171
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine (CID 63259218) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine is Fc1ccc(CN2CCC(C3CCCN3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
The InChIKey is JTCRIZULYOEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-15-10-14(18)4-3-13(15)11-20-8-5-12(6-9-20)16-2-1-7-19-16/h3-4,10,12,16,19H,1-2,5-9,11H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-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-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).