N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine

C15H27F3N2 — CID 83996991

IUPACN-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCN1CC(CC(F)(F)F)CC(NCC2CCC2)C1
InChIInChI=1S/C15H27F3N2/c1-2-6-20-10-13(8-15(16,17)18)7-14(11-20)19-9-12-4-3-5-12/h12-14,19H,2-11H2,1H3
InChIKeyXBDDXGCHEATAOC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds6

About N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine

N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83996991) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83996991
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCN1CC(CC(F)(F)F)CC(NCC2CCC2)C1
InChIInChI=1S/C15H27F3N2/c1-2-6-20-10-13(8-15(16,17)18)7-14(11-20)19-9-12-4-3-5-12/h12-14,19H,2-11H2,1H3
InChIKeyXBDDXGCHEATAOC-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83998347
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990210
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83996991) is N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is CCCN1CC(CC(F)(F)F)CC(NCC2CCC2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is XBDDXGCHEATAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-6-20-10-13(8-15(16,17)18)7-14(11-20)19-9-12-4-3-5-12/h12-14,19H,2-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83996991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).