5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C16H29F3N2 — CID 83992442

IUPAC5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCCC1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C16H29F3N2/c1-2-3-6-13-9-14(20-12-16(17,18)19)11-21(10-13)15-7-4-5-8-15/h13-15,20H,2-12H2,1H3
InChIKeyOIIIRLUKNVNTGE-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.96
Rot. Bonds6

About 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992442) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992442
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCCC1CC(NCC(F)(F)F)CN(C2CCCC2)C1
InChIInChI=1S/C16H29F3N2/c1-2-3-6-13-9-14(20-12-16(17,18)19)11-21(10-13)15-7-4-5-8-15/h13-15,20H,2-12H2,1H3
InChIKeyOIIIRLUKNVNTGE-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992454
5-butyl-1-cyclopentyl-N-propylpiperidin-3-amine
CID 83991121
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992444
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
5-ethyl-1-(3-methylcyclobutyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992503
1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992445
1-cyclopentyl-N-(3-methylbutyl)-5-propylpiperidin-3-amine
CID 83995902
1-cyclopropyl-N-ethyl-5-propylpiperidin-3-amine
CID 83990496
1-cyclohexyl-5-ethyl-N-propylpiperidin-3-amine
CID 83991155
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992442) is 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CCCCC1CC(NCC(F)(F)F)CN(C2CCCC2)C1.
What is the InChIKey of 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is OIIIRLUKNVNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-2-3-6-13-9-14(20-12-16(17,18)19)11-21(10-13)15-7-4-5-8-15/h13-15,20H,2-12H2,1H3.
What are the key properties of 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 306.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).