1-butyl-4-(trifluoromethyl)piperidine

C10H18F3N — CID 58742115

IUPAC1-butyl-4-(trifluoromethyl)piperidine
SMILESCCCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h9H,2-8H2,1H3
InChIKeySZHOXISNIKBDNW-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds3

About 1-butyl-4-(trifluoromethyl)piperidine

1-butyl-4-(trifluoromethyl)piperidine (PubChem CID 58742115) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-butyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-butyl-4-(trifluoromethyl)piperidine
PubChem CID58742115
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-butyl-4-(trifluoromethyl)piperidine
SMILESCCCCN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h9H,2-8H2,1H3
InChIKeySZHOXISNIKBDNW-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-butyl-4-(trifluoromethyl)piperidine (CID 58742115) is 1-butyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-butyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-butyl-4-(trifluoromethyl)piperidine is CCCCN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-butyl-4-(trifluoromethyl)piperidine?
The InChIKey is SZHOXISNIKBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 1-butyl-4-(trifluoromethyl)piperidine?
1-butyl-4-(trifluoromethyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 58742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).