1-(4-methylpentyl)-4-(trifluoromethyl)piperidine

C12H22F3N — CID 142528699

IUPAC1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
SMILESCC(C)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-10(2)4-3-7-16-8-5-11(6-9-16)12(13,14)15/h10-11H,3-9H2,1-2H3
InChIKeyKNSHRMUYEJEBQX-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.70
Rot. Bonds4

About 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine

1-(4-methylpentyl)-4-(trifluoromethyl)piperidine (PubChem CID 142528699) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
PubChem CID142528699
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
SMILESCC(C)CCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N/c1-10(2)4-3-7-16-8-5-11(6-9-16)12(13,14)15/h10-11H,3-9H2,1-2H3
InChIKeyKNSHRMUYEJEBQX-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Ethyl-3-methylpiperidine
CID 102760
1-Propyl-4-methylpiperidine
CID 4100429
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
1-Butyl-3-methylpiperidine
CID 6428881
Piperidine, 1-propyl-3-methyl
CID 6428890
1-Methyl-3-athyl-piperidin
CID 17764459
trans-1,3,5-Trimethylpiperidine
CID 642619

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine (CID 142528699) is 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine is CC(C)CCCN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine?
The InChIKey is KNSHRMUYEJEBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-10(2)4-3-7-16-8-5-11(6-9-16)12(13,14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine?
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine has a molecular weight of 237.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 142528699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).