5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride

C12H19ClN2O2 — CID 171195019

IUPAC5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@@H]2CCCCN2)c1O.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-12(16)11(9(7-15)6-14-8)10-4-2-3-5-13-10;/h6,10,13,15-16H,2-5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyCIGLKJVSXOUPCS-PPHPATTJSA-N
MW258.75 g/mol
LogP1.82
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride

5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride (PubChem CID 171195019) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride
PubChem CID171195019
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@@H]2CCCCN2)c1O.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-12(16)11(9(7-15)6-14-8)10-4-2-3-5-13-10;/h6,10,13,15-16H,2-5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyCIGLKJVSXOUPCS-PPHPATTJSA-N
XLogP1.82
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride (CID 171195019) is 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride is Cc1ncc(CO)c([C@@H]2CCCCN2)c1O.Cl.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride?
The InChIKey is CIGLKJVSXOUPCS-PPHPATTJSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-8-12(16)11(9(7-15)6-14-8)10-4-2-3-5-13-10;/h6,10,13,15-16H,2-5,7H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride?
5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(2S)-piperidin-2-yl]pyridin-3-ol;hydrochloride is sourced from PubChem (CID 171195019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).