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

C12H21F3N2 — CID 54907079

IUPACN-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESFC(F)(F)C1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h9-11,16-17H,1-8H2
InChIKeyPVKHRONDRBNLAP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.45
Rot. Bonds2

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

N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine (PubChem CID 54907079) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
PubChem CID54907079
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESFC(F)(F)C1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h9-11,16-17H,1-8H2
InChIKeyPVKHRONDRBNLAP-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine (CID 54907079) is N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine is FC(F)(F)C1CCC(NC2CCNCC2)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The InChIKey is PVKHRONDRBNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h9-11,16-17H,1-8H2.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine is sourced from PubChem (CID 54907079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).