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

C16H27F3N2 — CID 83992444

IUPAC1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CC(CC2CC2)CN(C2CCCC2)C1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)11-20-14-8-13(7-12-5-6-12)9-21(10-14)15-3-1-2-4-15/h12-15,20H,1-11H2
InChIKeyCPAKIQOCWUSYOF-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds5

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

1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992444) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992444
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CC(CC2CC2)CN(C2CCCC2)C1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)11-20-14-8-13(7-12-5-6-12)9-21(10-14)15-3-1-2-4-15/h12-15,20H,1-11H2
InChIKeyCPAKIQOCWUSYOF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992444) is 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is FC(F)(F)CNC1CC(CC2CC2)CN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is CPAKIQOCWUSYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c17-16(18,19)11-20-14-8-13(7-12-5-6-12)9-21(10-14)15-3-1-2-4-15/h12-15,20H,1-11H2.
What are the key properties of 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).