2-piperidin-3-ylethanol;hydrochloride

C7H16ClNO — CID 50988804

IUPAC2-piperidin-3-ylethanol;hydrochloride
SMILESCl.OCCC1CCCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H
InChIKeyJPWLRMLPKPPHRJ-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds2

About 2-piperidin-3-ylethanol;hydrochloride

2-piperidin-3-ylethanol;hydrochloride (PubChem CID 50988804) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-piperidin-3-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylethanol;hydrochloride
PubChem CID50988804
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-piperidin-3-ylethanol;hydrochloride
SMILESCl.OCCC1CCCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H
InChIKeyJPWLRMLPKPPHRJ-UHFFFAOYSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-(piperidin-4-yl)ethan-1-ol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylethanol;hydrochloride?
The IUPAC name of 2-piperidin-3-ylethanol;hydrochloride (CID 50988804) is 2-piperidin-3-ylethanol;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylethanol;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylethanol;hydrochloride is Cl.OCCC1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylethanol;hydrochloride?
The InChIKey is JPWLRMLPKPPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H.
What are the key properties of 2-piperidin-3-ylethanol;hydrochloride?
2-piperidin-3-ylethanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylethanol;hydrochloride is sourced from PubChem (CID 50988804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).