(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine

C10H19NO — CID 89318280

IUPAC(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)C[C@]1(C)CCCN(O)C1
InChIInChI=1S/C10H19NO/c1-9(2)7-10(3)5-4-6-11(12)8-10/h12H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKeyXQUSRIHNGOPGHS-JTQLQIEISA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds2

About (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine

(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine (PubChem CID 89318280) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine.

Molecular Properties

Compound Name(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine
PubChem CID89318280
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine
SMILESC=C(C)C[C@]1(C)CCCN(O)C1
InChIInChI=1S/C10H19NO/c1-9(2)7-10(3)5-4-6-11(12)8-10/h12H,1,4-8H2,2-3H3/t10-/m0/s1
InChIKeyXQUSRIHNGOPGHS-JTQLQIEISA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine?
The IUPAC name of (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine (CID 89318280) is (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine.
What is the SMILES notation for (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine?
The canonical SMILES for (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine is C=C(C)C[C@]1(C)CCCN(O)C1.
What is the InChIKey of (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine?
The InChIKey is XQUSRIHNGOPGHS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-10(3)5-4-6-11(12)8-10/h12H,1,4-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine?
(3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-3-methyl-3-(2-methylprop-2-enyl)piperidine is sourced from PubChem (CID 89318280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).