N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 79715457

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-2-20(11-12-7-9-19-10-8-12)14-5-3-13(4-6-14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyFMHQAUUZVONXBR-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79715457) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79715457
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-2-20(11-12-7-9-19-10-8-12)14-5-3-13(4-6-14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyFMHQAUUZVONXBR-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79708298
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
CID 79715670
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-(cyclopentylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64850426
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
CID 113428540
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 79715457) is N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is CCN(CC1CCNCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FMHQAUUZVONXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-20(11-12-7-9-19-10-8-12)14-5-3-13(4-6-14)15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79715457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).