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

C11H20F2N2 — CID 115030744

IUPAC3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
SMILESFC1(F)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C11H20F2N2/c12-11(13)4-1-7-15(9-11)8-10-2-5-14-6-3-10/h10,14H,1-9H2
InChIKeyJLXCONSHAQRCEN-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.72
Rot. Bonds2

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

3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 115030744) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
PubChem CID115030744
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
SMILESFC1(F)CCCN(CC2CCNCC2)C1
InChIInChI=1S/C11H20F2N2/c12-11(13)4-1-7-15(9-11)8-10-2-5-14-6-3-10/h10,14H,1-9H2
InChIKeyJLXCONSHAQRCEN-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
CID 119931795
3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023488
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
1-(cyclopropylmethyl)-3-fluoro-3-propan-2-ylpiperidine
CID 134195447
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 119932073
[3-phenyl-1-(piperidin-4-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 120857967
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine (CID 115030744) is 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine is FC1(F)CCCN(CC2CCNCC2)C1.
What is the InChIKey of 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is JLXCONSHAQRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13)4-1-7-15(9-11)8-10-2-5-14-6-3-10/h10,14H,1-9H2.
What are the key properties of 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine?
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 218.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 115030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).