[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride

C7H16ClNO — CID 166104604

IUPAC[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
SMILESC[C@H]1CNC[C@@H](CO)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-2-7(5-9)4-8-3-6;/h6-9H,2-5H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyHJFJEUUOCJWTIB-HHQFNNIRSA-N
MW165.66 g/mol
LogP0.65
Rot. Bonds1

About [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride

[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride (PubChem CID 166104604) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
PubChem CID166104604
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
SMILESC[C@H]1CNC[C@@H](CO)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-2-7(5-9)4-8-3-6;/h6-9H,2-5H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyHJFJEUUOCJWTIB-HHQFNNIRSA-N
XLogP0.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride (CID 166104604) is [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride is C[C@H]1CNC[C@@H](CO)C1.Cl.
What is the InChIKey of [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride?
The InChIKey is HJFJEUUOCJWTIB-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6-2-7(5-9)4-8-3-6;/h6-9H,2-5H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride?
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 166104604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).