[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol

C13H20N2O — CID 81237712

IUPAC[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
SMILESCC1(C)CCN(c2ccncc2CO)CC1
InChIInChI=1S/C13H20N2O/c1-13(2)4-7-15(8-5-13)12-3-6-14-9-11(12)10-16/h3,6,9,16H,4-5,7-8,10H2,1-2H3
InChIKeyBSTYDZFGQFXCEV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds2

About [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol

[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol (PubChem CID 81237712) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
PubChem CID81237712
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
SMILESCC1(C)CCN(c2ccncc2CO)CC1
InChIInChI=1S/C13H20N2O/c1-13(2)4-7-15(8-5-13)12-3-6-14-9-11(12)10-16/h3,6,9,16H,4-5,7-8,10H2,1-2H3
InChIKeyBSTYDZFGQFXCEV-UHFFFAOYSA-N
XLogP2.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol (CID 81237712) is [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol is CC1(C)CCN(c2ccncc2CO)CC1.
What is the InChIKey of [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol?
The InChIKey is BSTYDZFGQFXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)4-7-15(8-5-13)12-3-6-14-9-11(12)10-16/h3,6,9,16H,4-5,7-8,10H2,1-2H3.
What are the key properties of [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol?
[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 81237712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).