1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine

C15H21F3N2 — CID 106821027

IUPAC1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCCCNC1(C(F)(F)F)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21F3N2/c1-2-10-19-14(15(16,17)18)8-11-20(12-9-14)13-6-4-3-5-7-13/h3-7,19H,2,8-12H2,1H3
InChIKeyRBHQYKKOIKERKI-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.59
Rot. Bonds4

About 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine

1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine (PubChem CID 106821027) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine
PubChem CID106821027
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCCCNC1(C(F)(F)F)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21F3N2/c1-2-10-19-14(15(16,17)18)8-11-20(12-9-14)13-6-4-3-5-7-13/h3-7,19H,2,8-12H2,1H3
InChIKeyRBHQYKKOIKERKI-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine (CID 106821027) is 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine is CCCNC1(C(F)(F)F)CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine?
The InChIKey is RBHQYKKOIKERKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-10-19-14(15(16,17)18)8-11-20(12-9-14)13-6-4-3-5-7-13/h3-7,19H,2,8-12H2,1H3.
What are the key properties of 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine?
1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 106821027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).