2-[(3S)-piperidin-3-yl]ethanol;hydrochloride

C7H16ClNO — CID 137364351

IUPAC2-[(3S)-piperidin-3-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m0./s1
InChIKeyJPWLRMLPKPPHRJ-FJXQXJEOSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds2

About 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride

2-[(3S)-piperidin-3-yl]ethanol;hydrochloride (PubChem CID 137364351) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]ethanol;hydrochloride
PubChem CID137364351
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-[(3S)-piperidin-3-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCCNC1
InChIInChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m0./s1
InChIKeyJPWLRMLPKPPHRJ-FJXQXJEOSA-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

4-Piperidinemethanol
CID 420771
4-Piperidinepropanol
CID 81497
3-(Piperidin-4-yl)propan-1-ol hydrochloride
CID 18425720
4-(4-Piperidyl)-1-butanol hydrochloride
CID 2784667
2-(Piperidin-4-yl)ethanol hydrochloride
CID 19773564
(3-Methylpiperidin-2-yl)methanol
CID 19898861
2-(Piperidin-3-yl)ethan-1-ol hydrochloride
CID 50988804
(3-Methylpiperidin-4-yl)methanol
CID 54349011
(3-Methylpiperidin-4-yl)methanol hydrochloride
CID 66691996
(2-Methylpiperidin-4-yl)methanol
CID 83815011
(1R)-1-(piperidin-4-yl)ethan-1-ol hydrochloride
CID 118323865
7-Azaspiro[3.5]nonan-1-ol hydrochloride
CID 121209162

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride?
The IUPAC name of 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride (CID 137364351) is 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride is Cl.OCC[C@@H]1CCCNC1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride?
The InChIKey is JPWLRMLPKPPHRJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c9-5-3-7-2-1-4-8-6-7;/h7-9H,1-6H2;1H/t7-;/m0./s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]ethanol;hydrochloride?
2-[(3S)-piperidin-3-yl]ethanol;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-[(3S)-piperidin-3-yl]ethanol;hydrochloride is sourced from PubChem (CID 137364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).