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

C17H24ClFN2 — CID 120905694

IUPAC4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1(CN2CCC(F)(c3ccc(Cl)cc3)CC2)CCNC1
InChIInChI=1S/C17H24ClFN2/c1-16(6-9-20-12-16)13-21-10-7-17(19,8-11-21)14-2-4-15(18)5-3-14/h2-5,20H,6-13H2,1H3
InChIKeyHGLNDQZODYWOQJ-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.60
Rot. Bonds3

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

4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120905694) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120905694
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1(CN2CCC(F)(c3ccc(Cl)cc3)CC2)CCNC1
InChIInChI=1S/C17H24ClFN2/c1-16(6-9-20-12-16)13-21-10-7-17(19,8-11-21)14-2-4-15(18)5-3-14/h2-5,20H,6-13H2,1H3
InChIKeyHGLNDQZODYWOQJ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120898300
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122836
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
1-(2,3-difluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120900542
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
CID 120903903
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 120902173
4-(methoxymethyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120904295

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120905694) is 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is CC1(CN2CCC(F)(c3ccc(Cl)cc3)CC2)CCNC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is HGLNDQZODYWOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-16(6-9-20-12-16)13-21-10-7-17(19,8-11-21)14-2-4-15(18)5-3-14/h2-5,20H,6-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 310.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120905694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).