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

C9H17F3N2 — CID 63897165

IUPAC1-propyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCCCN1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-14-6-3-8(13,4-7-14)9(10,11)12/h2-7,13H2,1H3
InChIKeyLZLCAPWINRXSFK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.75
Rot. Bonds2

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

1-propyl-4-(trifluoromethyl)piperidin-4-amine (PubChem CID 63897165) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propyl-4-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-4-(trifluoromethyl)piperidin-4-amine
PubChem CID63897165
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-propyl-4-(trifluoromethyl)piperidin-4-amine
SMILESCCCN1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-14-6-3-8(13,4-7-14)9(10,11)12/h2-7,13H2,1H3
InChIKeyLZLCAPWINRXSFK-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of 1-propyl-4-(trifluoromethyl)piperidin-4-amine (CID 63897165) is 1-propyl-4-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-propyl-4-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-propyl-4-(trifluoromethyl)piperidin-4-amine is CCCN1CCC(N)(C(F)(F)F)CC1.
What is the InChIKey of 1-propyl-4-(trifluoromethyl)piperidin-4-amine?
The InChIKey is LZLCAPWINRXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-5-14-6-3-8(13,4-7-14)9(10,11)12/h2-7,13H2,1H3.
What are the key properties of 1-propyl-4-(trifluoromethyl)piperidin-4-amine?
1-propyl-4-(trifluoromethyl)piperidin-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 63897165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).