3-[(2,2-difluorocyclopentyl)methyl]piperidine

C11H19F2N — CID 130934240

IUPAC3-[(2,2-difluorocyclopentyl)methyl]piperidine
SMILESFC1(F)CCCC1CC1CCCNC1
InChIInChI=1S/C11H19F2N/c12-11(13)5-1-4-10(11)7-9-3-2-6-14-8-9/h9-10,14H,1-8H2
InChIKeyKDJYQCKJBQLMBK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds2

About 3-[(2,2-difluorocyclopentyl)methyl]piperidine

3-[(2,2-difluorocyclopentyl)methyl]piperidine (PubChem CID 130934240) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopentyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopentyl)methyl]piperidine
PubChem CID130934240
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[(2,2-difluorocyclopentyl)methyl]piperidine
SMILESFC1(F)CCCC1CC1CCCNC1
InChIInChI=1S/C11H19F2N/c12-11(13)5-1-4-10(11)7-9-3-2-6-14-8-9/h9-10,14H,1-8H2
InChIKeyKDJYQCKJBQLMBK-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
3-[(2,2-difluorocyclopropyl)methoxymethyl]piperidine
CID 126845147
piperidin-3-ylmethanol
CID 161361606
3-(oxolan-3-ylmethyl)piperidine
CID 63563820
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
1-(piperidin-3-ylmethyl)cyclobutan-1-ol
CID 115071581
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
1-(2-piperidin-3-ylethyl)cyclopropan-1-ol
CID 84653581
2-(piperidin-3-ylmethyl)cyclohexan-1-ol
CID 84733525

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopentyl)methyl]piperidine?
The IUPAC name of 3-[(2,2-difluorocyclopentyl)methyl]piperidine (CID 130934240) is 3-[(2,2-difluorocyclopentyl)methyl]piperidine.
What is the SMILES notation for 3-[(2,2-difluorocyclopentyl)methyl]piperidine?
The canonical SMILES for 3-[(2,2-difluorocyclopentyl)methyl]piperidine is FC1(F)CCCC1CC1CCCNC1.
What is the InChIKey of 3-[(2,2-difluorocyclopentyl)methyl]piperidine?
The InChIKey is KDJYQCKJBQLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c12-11(13)5-1-4-10(11)7-9-3-2-6-14-8-9/h9-10,14H,1-8H2.
What are the key properties of 3-[(2,2-difluorocyclopentyl)methyl]piperidine?
3-[(2,2-difluorocyclopentyl)methyl]piperidine has a molecular weight of 203.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopentyl)methyl]piperidine is sourced from PubChem (CID 130934240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).