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

C7H16ClNO2 — CID 75531028

IUPAC[(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H](CO)C1
InChIInChI=1S/C7H15NO2.ClH/c9-4-6-1-7(5-10)3-8-2-6;/h6-10H,1-5H2;1H/t6-,7+;
InChIKeyOASRRWXKEIFOMR-UKMDXRBESA-N
MW181.66 g/mol
LogP-0.38
Rot. Bonds2

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

[(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride (PubChem CID 75531028) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
PubChem CID75531028
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name[(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H](CO)C1
InChIInChI=1S/C7H15NO2.ClH/c9-4-6-1-7(5-10)3-8-2-6;/h6-10H,1-5H2;1H/t6-,7+;
InChIKeyOASRRWXKEIFOMR-UKMDXRBESA-N
XLogP-0.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride (CID 75531028) is [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride is Cl.OC[C@@H]1CNC[C@H](CO)C1.
What is the InChIKey of [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride?
The InChIKey is OASRRWXKEIFOMR-UKMDXRBESA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c9-4-6-1-7(5-10)3-8-2-6;/h6-10H,1-5H2;1H/t6-,7+;.
What are the key properties of [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride?
[(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 75531028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).