1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine

C16H22ClFN2 — CID 63256226

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESFc1cc(CN2CCCCC2C2CCCN2)ccc1Cl
InChIInChI=1S/C16H22ClFN2/c17-13-7-6-12(10-14(13)18)11-20-9-2-1-5-16(20)15-4-3-8-19-15/h6-7,10,15-16,19H,1-5,8-9,11H2
InChIKeyJAXPVBFIYCNNPW-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.59
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256226) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256226
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESFc1cc(CN2CCCCC2C2CCCN2)ccc1Cl
InChIInChI=1S/C16H22ClFN2/c17-13-7-6-12(10-14(13)18)11-20-9-2-1-5-16(20)15-4-3-8-19-15/h6-7,10,15-16,19H,1-5,8-9,11H2
InChIKeyJAXPVBFIYCNNPW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256920
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434
(3aR,8aR)-4-[(3-fluorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143551
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine
CID 107888446
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 79972574
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 63256226) is 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is Fc1cc(CN2CCCCC2C2CCCN2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is JAXPVBFIYCNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-13-7-6-12(10-14(13)18)11-20-9-2-1-5-16(20)15-4-3-8-19-15/h6-7,10,15-16,19H,1-5,8-9,11H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 296.82 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).