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

C15H24N2O — CID 134595793

IUPAC(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc(CN2CCC[C@H](O)C2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-7-6-12(9-16-14)10-17-8-4-5-13(18)11-17/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyHROJLZNLBWNIOM-ZDUSSCGKSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds2

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

(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol (PubChem CID 134595793) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
PubChem CID134595793
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc(CN2CCC[C@H](O)C2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)14-7-6-12(9-16-14)10-17-8-4-5-13(18)11-17/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/t13-/m0/s1
InChIKeyHROJLZNLBWNIOM-ZDUSSCGKSA-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

1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol (CID 134595793) is (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol is CC(C)(C)c1ccc(CN2CCC[C@H](O)C2)cn1.
What is the InChIKey of (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is HROJLZNLBWNIOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)14-7-6-12(9-16-14)10-17-8-4-5-13(18)11-17/h6-7,9,13,18H,4-5,8,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol?
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-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 (3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 134595793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).