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

C16H22F2N2 — CID 63256349

IUPAC1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESFc1cccc(F)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H22F2N2/c17-13-5-3-6-14(18)12(13)11-20-10-2-1-8-16(20)15-7-4-9-19-15/h3,5-6,15-16,19H,1-2,4,7-11H2
InChIKeyDFYSJWZYXMGJMN-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.07
Rot. Bonds3

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

1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256349) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID63256349
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESFc1cccc(F)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C16H22F2N2/c17-13-5-3-6-14(18)12(13)11-20-10-2-1-8-16(20)15-7-4-9-19-15/h3,5-6,15-16,19H,1-2,4,7-11H2
InChIKeyDFYSJWZYXMGJMN-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226
(3aR,8aR)-4-[(3-fluorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143551
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 79972574
2-chloro-6-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 79240835
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
CID 116790042
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 114930256
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 63256349) is 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is Fc1cccc(F)c1CN1CCCCC1C1CCCN1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is DFYSJWZYXMGJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-13-5-3-6-14(18)12(13)11-20-10-2-1-8-16(20)15-7-4-9-19-15/h3,5-6,15-16,19H,1-2,4,7-11H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 280.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).