1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine

C16H29F3N2 — CID 64754462

IUPAC1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCCCCN1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N2/c1-2-3-10-21-11-8-15(9-12-21)20-14-6-4-13(5-7-14)16(17,18)19/h13-15,20H,2-12H2,1H3
InChIKeyDJRCZGSNKFNTQE-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.96
Rot. Bonds5

About 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine

1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine (PubChem CID 64754462) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
PubChem CID64754462
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCCCCN1CCC(NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H29F3N2/c1-2-3-10-21-11-8-15(9-12-21)20-14-6-4-13(5-7-14)16(17,18)19/h13-15,20H,2-12H2,1H3
InChIKeyDJRCZGSNKFNTQE-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine (CID 64754462) is 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine is CCCCN1CCC(NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The InChIKey is DJRCZGSNKFNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-2-3-10-21-11-8-15(9-12-21)20-14-6-4-13(5-7-14)16(17,18)19/h13-15,20H,2-12H2,1H3.
What are the key properties of 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine has a molecular weight of 306.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine is sourced from PubChem (CID 64754462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).