1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C14H22F5N — CID 170394797

IUPAC1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H22F5N/c1-10(2)12(14(17,18)19)5-7-20(8-6-12)11-3-4-13(15,16)9-11/h10-11H,3-9H2,1-2H3
InChIKeyHZOYHJRMHBLWDO-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.47
Rot. Bonds2

About 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 170394797) has the molecular formula C14H22F5N and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID170394797
Molecular FormulaC14H22F5N
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Name1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCC(F)(F)C2)CC1
InChIInChI=1S/C14H22F5N/c1-10(2)12(14(17,18)19)5-7-20(8-6-12)11-3-4-13(15,16)9-11/h10-11H,3-9H2,1-2H3
InChIKeyHZOYHJRMHBLWDO-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170588350
1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
CID 126539817
1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane
CID 162556334
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
CID 122679820
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
2-ethyl-8,8-difluoro-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 146528968
3,3-difluoro-1-azabicyclo[3.2.0]heptane
CID 170594672
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 170394797) is 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1(C(F)(F)F)CCN(C2CCC(F)(F)C2)CC1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is HZOYHJRMHBLWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F5N/c1-10(2)12(14(17,18)19)5-7-20(8-6-12)11-3-4-13(15,16)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 299.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170394797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).