3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine

C12H22F2N2 — CID 120849326

IUPAC3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
SMILESCC1CCN(CC2CCCNC2)CC1(F)F
InChIInChI=1S/C12H22F2N2/c1-10-4-6-16(9-12(10,13)14)8-11-3-2-5-15-7-11/h10-11,15H,2-9H2,1H3
InChIKeyZBYLQDNHJZAENN-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.96
Rot. Bonds2

About 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine

3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine (PubChem CID 120849326) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
PubChem CID120849326
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
SMILESCC1CCN(CC2CCCNC2)CC1(F)F
InChIInChI=1S/C12H22F2N2/c1-10-4-6-16(9-12(10,13)14)8-11-3-2-5-15-7-11/h10-11,15H,2-9H2,1H3
InChIKeyZBYLQDNHJZAENN-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
9-(piperidin-3-ylmethyl)-6-oxa-9-azaspiro[3.6]decane
CID 120856412

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The IUPAC name of 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine (CID 120849326) is 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine is CC1CCN(CC2CCCNC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
The InChIKey is ZBYLQDNHJZAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10-4-6-16(9-12(10,13)14)8-11-3-2-5-15-7-11/h10-11,15H,2-9H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine?
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine has a molecular weight of 232.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine is sourced from PubChem (CID 120849326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).