[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol

C9H17NO — CID 170959154

IUPAC[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
SMILESC=C1CCN(C)C[C@@]1(C)CO
InChIInChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h11H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyAQCZVVULOAGXHS-VIFPVBQESA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds1

About [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol

[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol (PubChem CID 170959154) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
PubChem CID170959154
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol
SMILESC=C1CCN(C)C[C@@]1(C)CO
InChIInChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h11H,1,4-7H2,2-3H3/t9-/m0/s1
InChIKeyAQCZVVULOAGXHS-VIFPVBQESA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,3-Dimethylpiperidin-3-yl)methanol
CID 44827703
[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(3S)-4-(difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
CID 171478907
[(4E)-3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 171478959
[(3S)-4-(difluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479024
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 171479032
[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479033
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146
[4-(Fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208477
[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525631
[(4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525633
[4-(Difluoromethylidene)-1-ethyl-3-methylpiperidin-3-yl]methanol
CID 175554836

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol (CID 170959154) is [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol is C=C1CCN(C)C[C@@]1(C)CO.
What is the InChIKey of [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol?
The InChIKey is AQCZVVULOAGXHS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-5-10(3)6-9(8,2)7-11/h11H,1,4-7H2,2-3H3/t9-/m0/s1.
What are the key properties of [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol?
[(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,3-dimethyl-4-methylidenepiperidin-3-yl]methanol is sourced from PubChem (CID 170959154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).