4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

C16H24ClFN2 — CID 119930248

IUPAC4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C2CCCN2CC2CCNCC2)c1
InChIInChI=1S/C16H23FN2.ClH/c17-15-4-1-3-14(11-15)16-5-2-10-19(16)12-13-6-8-18-9-7-13;/h1,3-4,11,13,16,18H,2,5-10,12H2;1H
InChIKeyBMGUGRWTPSSPCY-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.38
Rot. Bonds3

About 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 119930248) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID119930248
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C2CCCN2CC2CCNCC2)c1
InChIInChI=1S/C16H23FN2.ClH/c17-15-4-1-3-14(11-15)16-5-2-10-19(16)12-13-6-8-18-9-7-13;/h1,3-4,11,13,16,18H,2,5-10,12H2;1H
InChIKeyBMGUGRWTPSSPCY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475
4-[[2-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930010
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 119930248) is 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is Cl.Fc1cccc(C2CCCN2CC2CCNCC2)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is BMGUGRWTPSSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2.ClH/c17-15-4-1-3-14(11-15)16-5-2-10-19(16)12-13-6-8-18-9-7-13;/h1,3-4,11,13,16,18H,2,5-10,12H2;1H.
What are the key properties of 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 298.83 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 119930248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).