N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

C12H23F3N2 — CID 55087478

IUPACN-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCCCNCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-2-6-16-7-4-9-17-8-3-5-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyZINNPMUTAILABM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds6

About N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine

N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 55087478) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID55087478
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCCCNCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2/c1-2-6-16-7-4-9-17-8-3-5-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyZINNPMUTAILABM-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 55087478) is N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is CCCNCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is ZINNPMUTAILABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-6-16-7-4-9-17-8-3-5-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 55087478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).