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

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Related Compounds

(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
2-[1-[(6-tert-butyl-3-pyridinyl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166288962
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
(3R)-1-(6-tert-butyl-3-pyridinyl)pyrrolidin-3-ol
CID 171604045
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
6-[(6-tert-butyl-3-pyridinyl)methyl]-3-sulfanyl-3,6-diazabicyclo[3.1.1]heptane
CID 134436250

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).