(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone

C13H21F2NO — CID 91070510

IUPAC(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H21F2NO/c1-10-3-2-8-16(9-10)12(17)11-4-6-13(14,15)7-5-11/h10-11H,2-9H2,1H3
InChIKeyUQFPNNJXWVECRW-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.07
Rot. Bonds1

About (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone

(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 91070510) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID91070510
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C13H21F2NO/c1-10-3-2-8-16(9-10)12(17)11-4-6-13(14,15)7-5-11/h10-11H,2-9H2,1H3
InChIKeyUQFPNNJXWVECRW-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 100617212
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
3-methylpiperidine-1-carboxylic acid
CID 22047728
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone (CID 91070510) is (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UQFPNNJXWVECRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-10-3-2-8-16(9-10)12(17)11-4-6-13(14,15)7-5-11/h10-11H,2-9H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone?
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 245.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91070510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).