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

C7H16ClNO — CID 53487138

IUPAC2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCCCN1
InChIInChI=1S/C7H15NO.ClH/c9-6-4-7-3-1-2-5-8-7;/h7-9H,1-6H2;1H/t7-;/m0./s1
InChIKeyLJOCPKDUBFJADK-FJXQXJEOSA-N
MW165.66 g/mol
LogP0.93
Rot. Bonds2

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

2-[(2S)-piperidin-2-yl]ethanol;hydrochloride (PubChem CID 53487138) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
PubChem CID53487138
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
SMILESCl.OCC[C@@H]1CCCCN1
InChIInChI=1S/C7H15NO.ClH/c9-6-4-7-3-1-2-5-8-7;/h7-9H,1-6H2;1H/t7-;/m0./s1
InChIKeyLJOCPKDUBFJADK-FJXQXJEOSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-piperidin-2-ylethanol
CID 91203064
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
[(2S)-azepan-2-yl]methanol
CID 870731
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
hydron;[(2R)-piperidin-2-yl]methanol;chloride
CID 67247102
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 156593490
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
CID 53408908
2-[ethyl(2-piperidin-2-ylethyl)amino]ethanol
CID 56831632
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride?
The IUPAC name of 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride (CID 53487138) is 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride is Cl.OCC[C@@H]1CCCCN1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride?
The InChIKey is LJOCPKDUBFJADK-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c9-6-4-7-3-1-2-5-8-7;/h7-9H,1-6H2;1H/t7-;/m0./s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride?
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]ethanol;hydrochloride is sourced from PubChem (CID 53487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).