1,3-dimethyl-3-prop-2-enylpiperidin-4-ol

C10H19NO — CID 20616580

IUPAC1,3-dimethyl-3-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(C)CN(C)CCC1O
InChIInChI=1S/C10H19NO/c1-4-6-10(2)8-11(3)7-5-9(10)12/h4,9,12H,1,5-8H2,2-3H3
InChIKeyAVHZHTWBPJHZMX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol

1,3-dimethyl-3-prop-2-enylpiperidin-4-ol (PubChem CID 20616580) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-3-prop-2-enylpiperidin-4-ol
PubChem CID20616580
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,3-dimethyl-3-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(C)CN(C)CCC1O
InChIInChI=1S/C10H19NO/c1-4-6-10(2)8-11(3)7-5-9(10)12/h4,9,12H,1,5-8H2,2-3H3
InChIKeyAVHZHTWBPJHZMX-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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-Cyclohexen-1-ylmethyl)-4-piperidinol
CID 2846138
1-[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]ethanol
CID 176883337
4-But-3-enyl-1-methylpiperidin-4-ol
CID 20622649
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596071
1-Methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596074
(3R,4S)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596075
1-(2,2,3-Trimethylbut-3-enyl)piperidin-4-ol
CID 89355853
1-[(2,2,6,6-Tetradeuteriocyclohex-3-en-1-yl)methyl]piperidin-4-ol
CID 140295903
(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
CID 143448093
[1-Methyl-4-(prop-2-en-1-yl)piperidin-4-yl]methanol
CID 143739834
1-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 144043856

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol (CID 20616580) is 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol is C=CCC1(C)CN(C)CCC1O.
What is the InChIKey of 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol?
The InChIKey is AVHZHTWBPJHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(2)8-11(3)7-5-9(10)12/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol?
1,3-dimethyl-3-prop-2-enylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 20616580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).