[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol

C14H22N2O — CID 81238075

IUPAC[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(N2CCCC(C)(C)C2)c(CO)cn1
InChIInChI=1S/C14H22N2O/c1-11-7-13(12(9-17)8-15-11)16-6-4-5-14(2,3)10-16/h7-8,17H,4-6,9-10H2,1-3H3
InChIKeyKLNNNFDSZWSCBU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds2

About [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol

[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol (PubChem CID 81238075) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
PubChem CID81238075
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
SMILESCc1cc(N2CCCC(C)(C)C2)c(CO)cn1
InChIInChI=1S/C14H22N2O/c1-11-7-13(12(9-17)8-15-11)16-6-4-5-14(2,3)10-16/h7-8,17H,4-6,9-10H2,1-3H3
InChIKeyKLNNNFDSZWSCBU-UHFFFAOYSA-N
XLogP2.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol (CID 81238075) is [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol is Cc1cc(N2CCCC(C)(C)C2)c(CO)cn1.
What is the InChIKey of [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol?
The InChIKey is KLNNNFDSZWSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-13(12(9-17)8-15-11)16-6-4-5-14(2,3)10-16/h7-8,17H,4-6,9-10H2,1-3H3.
What are the key properties of [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol?
[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81238075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).