N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine

C14H23F3N2 — CID 174857967

IUPACN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine
SMILESFC(F)(F)CN1CCCC(C2CC2NCC2CC2)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)9-19-5-1-2-11(8-19)12-6-13(12)18-7-10-3-4-10/h10-13,18H,1-9H2
InChIKeyRWKBHFYEGRFRGT-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.65
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine

N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine (PubChem CID 174857967) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine
PubChem CID174857967
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine
SMILESFC(F)(F)CN1CCCC(C2CC2NCC2CC2)C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)9-19-5-1-2-11(8-19)12-6-13(12)18-7-10-3-4-10/h10-13,18H,1-9H2
InChIKeyRWKBHFYEGRFRGT-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine (CID 174857967) is N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine is FC(F)(F)CN1CCCC(C2CC2NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine?
The InChIKey is RWKBHFYEGRFRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)9-19-5-1-2-11(8-19)12-6-13(12)18-7-10-3-4-10/h10-13,18H,1-9H2.
What are the key properties of N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine?
N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine has a molecular weight of 276.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 174857967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).