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

C15H23ClN2O — CID 62091450

IUPAC[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
SMILESCC(C)(C)C1CCN(c2ncc(CO)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)12-4-6-18(7-5-12)14-13(16)8-11(10-19)9-17-14/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyGTJSIDXOZFXAFY-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.49
Rot. Bonds2

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

[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol (PubChem CID 62091450) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
PubChem CID62091450
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
SMILESCC(C)(C)C1CCN(c2ncc(CO)cc2Cl)CC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)12-4-6-18(7-5-12)14-13(16)8-11(10-19)9-17-14/h8-9,12,19H,4-7,10H2,1-3H3
InChIKeyGTJSIDXOZFXAFY-UHFFFAOYSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.49
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-chloro-3-pyridinyl]methanol?
The IUPAC name of [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol (CID 62091450) is [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol?
The canonical SMILES for [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol is CC(C)(C)C1CCN(c2ncc(CO)cc2Cl)CC1.
What is the InChIKey of [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol?
The InChIKey is GTJSIDXOZFXAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)12-4-6-18(7-5-12)14-13(16)8-11(10-19)9-17-14/h8-9,12,19H,4-7,10H2,1-3H3.
What are the key properties of [6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol?
[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol has a molecular weight of 282.81 g/mol, XLogP of 3.49, 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-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 62091450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).