1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C14H21F6N — CID 170588350

IUPAC1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C(C2CC2)C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N/c1-9(2)12(14(18,19)20)5-7-21(8-6-12)11(10-3-4-10)13(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyWHDZWZCSWBUAGS-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.63
Rot. Bonds3

About 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 170588350) has the molecular formula C14H21F6N and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID170588350
Molecular FormulaC14H21F6N
Molecular Weight317.32 g/mol
Exact Mass317.16
IUPAC Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C(C2CC2)C(F)(F)F)CC1
InChIInChI=1S/C14H21F6N/c1-9(2)12(14(18,19)20)5-7-21(8-6-12)11(10-3-4-10)13(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyWHDZWZCSWBUAGS-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-cyclopropyl-2,2,2-trifluoroethyl)piperazine
CID 83688036
1-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]piperazine
CID 130915818
1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394797
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
cumene;propan-2-ylcyclopropane;propan-2-yloxybenzene;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 167599935
1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
CID 166820569
3-(2-fluoropropan-2-yl)-1-methyl-3-propan-2-ylpyrrolidine
CID 167679492
4-propan-2-yl-4-(trifluoromethyl)cyclopentene
CID 89050504
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
N-(1-cyclopropylethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210350
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 135165727

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 170588350) is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1(C(F)(F)F)CCN(C(C2CC2)C(F)(F)F)CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is WHDZWZCSWBUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6N/c1-9(2)12(14(18,19)20)5-7-21(8-6-12)11(10-3-4-10)13(15,16)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 317.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170588350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).