(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol

C10H19NO — CID 143448093

IUPAC(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
SMILESC=C[C@@]1(C)CCN(CC)C[C@H]1O
InChIInChI=1S/C10H19NO/c1-4-10(3)6-7-11(5-2)8-9(10)12/h4,9,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyLPIZWDKHVBISMW-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol

(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol (PubChem CID 143448093) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
PubChem CID143448093
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
SMILESC=C[C@@]1(C)CCN(CC)C[C@H]1O
InChIInChI=1S/C10H19NO/c1-4-10(3)6-7-11(5-2)8-9(10)12/h4,9,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyLPIZWDKHVBISMW-ZJUUUORDSA-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-Dimethyl-3-prop-2-enylpiperidin-4-ol
CID 20616580
[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
(5R)-5-ethenyl-1-methylpiperidin-3-ol
CID 159741859
(4-Ethenyl-1-pentylpiperidin-4-yl)methanol
CID 167131750
(3R,4R)-4-ethenyl-1-methylpiperidin-3-ol
CID 167468854
1-(1-Tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
CID 168860981
1-Propan-2-yl-4-prop-2-enylpiperidin-3-ol
CID 177338742
1-Pent-4-enylpiperidin-3-ol
CID 64300039
2-Methyl-2-piperidin-1-ylhex-5-en-3-ol
CID 79045985
5-Methyl-5-piperidin-1-ylhept-1-en-4-ol
CID 79065357
1-But-3-en-2-yl-4-methylpiperidin-3-ol
CID 103898201

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol (CID 143448093) is (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol is C=C[C@@]1(C)CCN(CC)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol?
The InChIKey is LPIZWDKHVBISMW-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(3)6-7-11(5-2)8-9(10)12/h4,9,12H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol?
(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-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 (3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 143448093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).