[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride

C7H16ClNO2 — CID 67199428

IUPAC[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(CO)CCNCC1
InChIInChI=1S/C7H15NO2.ClH/c9-5-7(6-10)1-3-8-4-2-7;/h8-10H,1-6H2;1H
InChIKeyRAHBOFVGKXTTDC-UHFFFAOYSA-N
MW181.66 g/mol
LogP-0.24
Rot. Bonds2

About [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride

[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride (PubChem CID 67199428) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride
PubChem CID67199428
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(CO)CCNCC1
InChIInChI=1S/C7H15NO2.ClH/c9-5-7(6-10)1-3-8-4-2-7;/h8-10H,1-6H2;1H
InChIKeyRAHBOFVGKXTTDC-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride (CID 67199428) is [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride is Cl.OCC1(CO)CCNCC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride?
The InChIKey is RAHBOFVGKXTTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c9-5-7(6-10)1-3-8-4-2-7;/h8-10H,1-6H2;1H.
What are the key properties of [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride?
[4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 67199428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).