4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol

C11H21F3N2O — CID 114249732

IUPAC4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol
SMILESCCCN(CC(F)(F)F)C1CNCCC1(C)O
InChIInChI=1S/C11H21F3N2O/c1-3-6-16(8-11(12,13)14)9-7-15-5-4-10(9,2)17/h9,15,17H,3-8H2,1-2H3
InChIKeyMMIMHQRMSKCWJX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds4

About 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol

4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol (PubChem CID 114249732) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol
PubChem CID114249732
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol
SMILESCCCN(CC(F)(F)F)C1CNCCC1(C)O
InChIInChI=1S/C11H21F3N2O/c1-3-6-16(8-11(12,13)14)9-7-15-5-4-10(9,2)17/h9,15,17H,3-8H2,1-2H3
InChIKeyMMIMHQRMSKCWJX-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol?
The IUPAC name of 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol (CID 114249732) is 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol.
What is the SMILES notation for 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol?
The canonical SMILES for 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol is CCCN(CC(F)(F)F)C1CNCCC1(C)O.
What is the InChIKey of 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol?
The InChIKey is MMIMHQRMSKCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-6-16(8-11(12,13)14)9-7-15-5-4-10(9,2)17/h9,15,17H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol?
4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]piperidin-4-ol is sourced from PubChem (CID 114249732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).