N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

C14H27F3N2 — CID 55087477

IUPACN-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCC(C)CNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-12(2)10-18-7-3-4-8-19-9-5-6-13(11-19)14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyLTHXKMOKBDQXAQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.29
Rot. Bonds7

About N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (PubChem CID 55087477) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
PubChem CID55087477
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCC(C)CNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-12(2)10-18-7-3-4-8-19-9-5-6-13(11-19)14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyLTHXKMOKBDQXAQ-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.29
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-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (CID 55087477) is N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is CC(C)CNCCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is LTHXKMOKBDQXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-12(2)10-18-7-3-4-8-19-9-5-6-13(11-19)14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 55087477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).