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

C16H24ClFN2 — CID 119931475

IUPAC4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C2CCN(CC3CCNCC3)C2)c1
InChIInChI=1S/C16H23FN2.ClH/c17-16-3-1-2-14(10-16)15-6-9-19(12-15)11-13-4-7-18-8-5-13;/h1-3,10,13,15,18H,4-9,11-12H2;1H
InChIKeyJVYYGZIXIOIGHG-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.04
Rot. Bonds3

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

4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 119931475) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID119931475
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C2CCN(CC3CCNCC3)C2)c1
InChIInChI=1S/C16H23FN2.ClH/c17-16-3-1-2-14(10-16)15-6-9-19(12-15)11-13-4-7-18-8-5-13;/h1-3,10,13,15,18H,4-9,11-12H2;1H
InChIKeyJVYYGZIXIOIGHG-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
4-(2,6-difluorophenyl)-1-(piperidin-4-ylmethyl)piperidine
CID 120851603
4-phenyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119931344
3-(3-fluorophenyl)pyrrolidin-1-amine
CID 83529953
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 119931475) is 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is Cl.Fc1cccc(C2CCN(CC3CCNCC3)C2)c1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is JVYYGZIXIOIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2.ClH/c17-16-3-1-2-14(10-16)15-6-9-19(12-15)11-13-4-7-18-8-5-13;/h1-3,10,13,15,18H,4-9,11-12H2;1H.
What are the key properties of 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 298.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 119931475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).