1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

C17H24F2N2 — CID 60978666

IUPAC1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCC(c1c(F)cccc1F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H24F2N2/c1-12(17-14(18)6-2-7-15(17)19)21-10-4-5-13(11-21)16-8-3-9-20-16/h2,6-7,12-13,16,20H,3-5,8-11H2,1H3
InChIKeyUMLMIGKQWLWXIU-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.49
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978666) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60978666
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCC(c1c(F)cccc1F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H24F2N2/c1-12(17-14(18)6-2-7-15(17)19)21-10-4-5-13(11-21)16-8-3-9-20-16/h2,6-7,12-13,16,20H,3-5,8-11H2,1H3
InChIKeyUMLMIGKQWLWXIU-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60979360
1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978163
1-(3-methylbutan-2-yl)-3-pyrrolidin-2-ylpiperidine
CID 60978804
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
CID 98764853
1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
(4aR,7aR)-6-[(1S)-1-phenylethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 66771891
(4aR,8aS)-6-[(2-chloro-6-fluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 146040171
6-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678672
1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148
6-(1-naphthalen-1-ylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678358
(4aS,7aS)-6-benzhydryl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67445491
(4aS,7aS)-6-[1-(2-methoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678927

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (CID 60978666) is 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is CC(c1c(F)cccc1F)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is UMLMIGKQWLWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-12(17-14(18)6-2-7-15(17)19)21-10-4-5-13(11-21)16-8-3-9-20-16/h2,6-7,12-13,16,20H,3-5,8-11H2,1H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 294.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).