N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

C13H25F3N2 — CID 55087476

IUPACN-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCCCNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-2-7-17-8-3-4-9-18-10-5-6-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyCXCPJACMDKPHNA-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

About N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (PubChem CID 55087476) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
PubChem CID55087476
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCCCNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-2-7-17-8-3-4-9-18-10-5-6-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyCXCPJACMDKPHNA-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
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-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (CID 55087476) is N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is CCCNCCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is CXCPJACMDKPHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-2-7-17-8-3-4-9-18-10-5-6-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 55087476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).