4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine

C16H22ClFN2 — CID 120858319

IUPAC4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
SMILESFC1(c2cccc(Cl)c2)CCN(CC2CCNCC2)C1
InChIInChI=1S/C16H22ClFN2/c17-15-3-1-2-14(10-15)16(18)6-9-20(12-16)11-13-4-7-19-8-5-13/h1-3,10,13,19H,4-9,11-12H2
InChIKeyCTRKESJAIPAFSY-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.21
Rot. Bonds3

About 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine

4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine (PubChem CID 120858319) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
PubChem CID120858319
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
SMILESFC1(c2cccc(Cl)c2)CCN(CC2CCNCC2)C1
InChIInChI=1S/C16H22ClFN2/c17-15-3-1-2-14(10-15)16(18)6-9-20(12-16)11-13-4-7-19-8-5-13/h1-3,10,13,19H,4-9,11-12H2
InChIKeyCTRKESJAIPAFSY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)-4-fluoropiperidin-1-yl]acetonitrile
CID 122139830
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 120858246
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 120857967
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
3-[1-(3-chlorophenyl)cyclopropyl]pyrrolidine
CID 83910690
1'-(piperidin-4-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine];hydrochloride
CID 119932289
methyl 2-(3-chlorophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetate
CID 120850183

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine (CID 120858319) is 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine is FC1(c2cccc(Cl)c2)CCN(CC2CCNCC2)C1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine?
The InChIKey is CTRKESJAIPAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-15-3-1-2-14(10-15)16(18)6-9-20(12-16)11-13-4-7-19-8-5-13/h1-3,10,13,19H,4-9,11-12H2.
What are the key properties of 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine?
4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine has a molecular weight of 296.82 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 120858319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).