2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride

C8H18ClNO — CID 165761211

IUPAC2-(4-methylpiperidin-4-yl)ethanol;hydrochloride
SMILESCC1(CCNCC1)CCO.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(4-7-10)2-5-9-6-3-8;/h9-10H,2-7H2,1H3;1H
InChIKeyWHNNUTISKDJXDF-UHFFFAOYSA-N
MW179.69 g/mol
LogP—
Rot. Bonds2

About 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride

2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride (PubChem CID 165761211) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride
PubChem CID165761211
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-(4-methylpiperidin-4-yl)ethanol;hydrochloride
SMILESCC1(CCNCC1)CCO.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(4-7-10)2-5-9-6-3-8;/h9-10H,2-7H2,1H3;1H
InChIKeyWHNNUTISKDJXDF-UHFFFAOYSA-N
XLogP—
TPSA32.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride?
The IUPAC name of 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride (CID 165761211) is 2-(4-methylpiperidin-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride?
The canonical SMILES for 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride is CC1(CCNCC1)CCO.Cl.
What is the InChIKey of 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride?
The InChIKey is WHNNUTISKDJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(4-7-10)2-5-9-6-3-8;/h9-10H,2-7H2,1H3;1H.
What are the key properties of 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride?
2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride has a molecular weight of 179.69 g/mol, XLogP of not available, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride is sourced from PubChem (CID 165761211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).