[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride

C7H14ClNO — CID 66733500

IUPAC[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride
SMILESC=C1CCN[C@H](CO)C1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6-2-3-8-7(4-6)5-9;/h7-9H,1-5H2;1H/t7-;/m0./s1
InChIKeyVAIGSWBGGVUSLL-FJXQXJEOSA-N
MW163.65 g/mol
LogP0.71
Rot. Bonds1

About [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride

[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride (PubChem CID 66733500) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride
PubChem CID66733500
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride
SMILESC=C1CCN[C@H](CO)C1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-6-2-3-8-7(4-6)5-9;/h7-9H,1-5H2;1H/t7-;/m0./s1
InChIKeyVAIGSWBGGVUSLL-FJXQXJEOSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride (CID 66733500) is [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride is C=C1CCN[C@H](CO)C1.Cl.
What is the InChIKey of [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride?
The InChIKey is VAIGSWBGGVUSLL-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-6-2-3-8-7(4-6)5-9;/h7-9H,1-5H2;1H/t7-;/m0./s1.
What are the key properties of [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride?
[(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylidenepiperidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 66733500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).