1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol

C12H18N2O2 — CID 81238544

IUPAC1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)c(CO)cn1
InChIInChI=1S/C12H18N2O2/c1-9-6-12(10(8-15)7-13-9)14-4-2-11(16)3-5-14/h6-7,11,15-16H,2-5,8H2,1H3
InChIKeyXMFLTIYDLZIHGI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds2

About 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol

1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol (PubChem CID 81238544) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
PubChem CID81238544
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)c(CO)cn1
InChIInChI=1S/C12H18N2O2/c1-9-6-12(10(8-15)7-13-9)14-4-2-11(16)3-5-14/h6-7,11,15-16H,2-5,8H2,1H3
InChIKeyXMFLTIYDLZIHGI-UHFFFAOYSA-N
XLogP0.84
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol (CID 81238544) is 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol is Cc1cc(N2CCC(O)CC2)c(CO)cn1.
What is the InChIKey of 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol?
The InChIKey is XMFLTIYDLZIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-12(10(8-15)7-13-9)14-4-2-11(16)3-5-14/h6-7,11,15-16H,2-5,8H2,1H3.
What are the key properties of 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol?
1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol has a molecular weight of 222.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 81238544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).