N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine

C16H29F3N2 — CID 83998347

IUPACN-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2/c1-2-21-11-14(9-16(17,18)19)8-15(12-21)20-10-13-6-4-3-5-7-13/h13-15,20H,2-12H2,1H3
InChIKeySPXIDYVVRGJEMG-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.82
Rot. Bonds5

About N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine

N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83998347) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83998347
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1
InChIInChI=1S/C16H29F3N2/c1-2-21-11-14(9-16(17,18)19)8-15(12-21)20-10-13-6-4-3-5-7-13/h13-15,20H,2-12H2,1H3
InChIKeySPXIDYVVRGJEMG-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991
N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990210
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83998347) is N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is CCN1CC(CC(F)(F)F)CC(NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is SPXIDYVVRGJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-2-21-11-14(9-16(17,18)19)8-15(12-21)20-10-13-6-4-3-5-7-13/h13-15,20H,2-12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 306.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83998347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).