N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 64755084

IUPACN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCN2CCCCC2)CC1
InChIInChI=1S/C14H25F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h12-13,18H,1-11H2
InChIKeyZBUUDDFYGZSRQV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755084) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755084
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCN2CCCCC2)CC1
InChIInChI=1S/C14H25F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h12-13,18H,1-11H2
InChIKeyZBUUDDFYGZSRQV-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755084) is N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCN2CCCCC2)CC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZBUUDDFYGZSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h12-13,18H,1-11H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).