1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol

C15H24N2O — CID 134595430

IUPAC1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1ccc(CN2CCC(O)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-5-4-12(10-16-14)11-17-8-6-13(18)7-9-17/h4-5,10,13,18H,6-9,11H2,1-3H3
InChIKeyNLWZYXRFMNXCFH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds2

About 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol

1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol (PubChem CID 134595430) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
PubChem CID134595430
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1ccc(CN2CCC(O)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-5-4-12(10-16-14)11-17-8-6-13(18)7-9-17/h4-5,10,13,18H,6-9,11H2,1-3H3
InChIKeyNLWZYXRFMNXCFH-UHFFFAOYSA-N
XLogP2.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol (CID 134595430) is 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol is CC(C)(C)c1ccc(CN2CCC(O)CC2)cn1.
What is the InChIKey of 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is NLWZYXRFMNXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14-5-4-12(10-16-14)11-17-8-6-13(18)7-9-17/h4-5,10,13,18H,6-9,11H2,1-3H3.
What are the key properties of 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol?
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 134595430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).