(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine

C9H17NO — CID 89317970

IUPAC(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine
SMILESC=CC[C@]1(C)CCCN(O)C1
InChIInChI=1S/C9H17NO/c1-3-5-9(2)6-4-7-10(11)8-9/h3,11H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyCOYWHYZOEYGYCI-SECBINFHSA-N
MW155.24 g/mol
LogP2.05
Rot. Bonds2

About (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine

(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine (PubChem CID 89317970) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine.

Molecular Properties

Compound Name(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine
PubChem CID89317970
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine
SMILESC=CC[C@]1(C)CCCN(O)C1
InChIInChI=1S/C9H17NO/c1-3-5-9(2)6-4-7-10(11)8-9/h3,11H,1,4-8H2,2H3/t9-/m1/s1
InChIKeyCOYWHYZOEYGYCI-SECBINFHSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.05
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-prop-2-enylpiperidine?
The IUPAC name of (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine (CID 89317970) is (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine.
What is the SMILES notation for (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine?
The canonical SMILES for (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine is C=CC[C@]1(C)CCCN(O)C1.
What is the InChIKey of (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine?
The InChIKey is COYWHYZOEYGYCI-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-9(2)6-4-7-10(11)8-9/h3,11H,1,4-8H2,2H3/t9-/m1/s1.
What are the key properties of (3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine?
(3S)-1-hydroxy-3-methyl-3-prop-2-enylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 2.05, 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-prop-2-enylpiperidine is sourced from PubChem (CID 89317970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).