[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol

C16H26N2O — CID 80628617

IUPAC[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-10,14,19H,5-8,11H2,1-4H3
InChIKeyNCSHFDITQNLOQQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds2

About [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol

[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol (PubChem CID 80628617) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
PubChem CID80628617
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-10,14,19H,5-8,11H2,1-4H3
InChIKeyNCSHFDITQNLOQQ-UHFFFAOYSA-N
XLogP3.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol (CID 80628617) is [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is NCSHFDITQNLOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(11-19)10-17-15(12)18-7-5-14(6-8-18)16(2,3)4/h9-10,14,19H,5-8,11H2,1-4H3.
What are the key properties of [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol?
[6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 262.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).