(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride

C11H19ClF2N2O — CID 154582456

IUPAC(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O.ClH/c12-11(13)3-6-15(7-4-11)10(16)9-2-1-5-14-8-9;/h9,14H,1-8H2;1H
InChIKeyXLIXCTBCAYJTHX-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.67
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride

(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride (PubChem CID 154582456) has the molecular formula C11H19ClF2N2O and a molecular weight of 268.73 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
PubChem CID154582456
Molecular FormulaC11H19ClF2N2O
Molecular Weight268.73 g/mol
Exact Mass268.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O.ClH/c12-11(13)3-6-15(7-4-11)10(16)9-2-1-5-14-8-9;/h9,14H,1-8H2;1H
InChIKeyXLIXCTBCAYJTHX-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81128328
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134714

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride (CID 154582456) is (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCCNC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is XLIXCTBCAYJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O.ClH/c12-11(13)3-6-15(7-4-11)10(16)9-2-1-5-14-8-9;/h9,14H,1-8H2;1H.
What are the key properties of (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 268.73 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 154582456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).