1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine

C15H21FN2 — CID 117022829

IUPAC1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
SMILESFc1cccc(N2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C15H21FN2/c16-14-2-1-3-15(10-14)18-8-5-12(6-9-18)13-4-7-17-11-13/h1-3,10,12-13,17H,4-9,11H2
InChIKeyDBKYPLLVYKEPHL-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.65
Rot. Bonds2

About 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine

1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine (PubChem CID 117022829) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
PubChem CID117022829
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
SMILESFc1cccc(N2CCC(C3CCNC3)CC2)c1
InChIInChI=1S/C15H21FN2/c16-14-2-1-3-15(10-14)18-8-5-12(6-9-18)13-4-7-17-11-13/h1-3,10,12-13,17H,4-9,11H2
InChIKeyDBKYPLLVYKEPHL-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 155827288
3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
1-(3-fluorophenyl)-4-methylsulfonylpiperidine
CID 138533528
1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
CID 154920531
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 146064617
1-(3-fluorophenyl)-N-methyl-N-[(2S)-2-methyl-3-methylsulfonylpropyl]piperidin-4-amine
CID 97320479
[3-(3-fluorophenyl)phenyl]-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146043610
1-(3-fluorophenyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101727
1-(2-bromo-4-methylphenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022832

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine (CID 117022829) is 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine is Fc1cccc(N2CCC(C3CCNC3)CC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine?
The InChIKey is DBKYPLLVYKEPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-2-1-3-15(10-14)18-8-5-12(6-9-18)13-4-7-17-11-13/h1-3,10,12-13,17H,4-9,11H2.
What are the key properties of 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine?
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine has a molecular weight of 248.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 117022829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).