1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H21F3N2O2 — CID 126835765

IUPAC1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)N1CCCCC1C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O2/c1-10(20)19-8-3-2-6-12(19)11-5-4-7-18(9-11)13(21)14(15,16)17/h11-12H,2-9H2,1H3
InChIKeyHJBYRHHAARVPHN-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.19
Rot. Bonds1

About 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 126835765) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID126835765
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)N1CCCCC1C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O2/c1-10(20)19-8-3-2-6-12(19)11-5-4-7-18(9-11)13(21)14(15,16)17/h11-12H,2-9H2,1H3
InChIKeyHJBYRHHAARVPHN-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone
CID 126822338
3-(1-acetylpiperidin-2-yl)-N-(4-chlorophenyl)piperidine-1-carbothioamide
CID 121238333
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110867880
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 102726312
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 126835765) is 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is CC(=O)N1CCCCC1C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is HJBYRHHAARVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-10(20)19-8-3-2-6-12(19)11-5-4-7-18(9-11)13(21)14(15,16)17/h11-12H,2-9H2,1H3.
What are the key properties of 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 306.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 126835765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).