1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol

C12H23NO — CID 123603830

IUPAC1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
SMILESC=C(C)CC1CN(CC)C(C)CC1O
InChIInChI=1S/C12H23NO/c1-5-13-8-11(6-9(2)3)12(14)7-10(13)4/h10-12,14H,2,5-8H2,1,3-4H3
InChIKeyBKUPLJFLXFECNH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol

1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol (PubChem CID 123603830) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
PubChem CID123603830
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
SMILESC=C(C)CC1CN(CC)C(C)CC1O
InChIInChI=1S/C12H23NO/c1-5-13-8-11(6-9(2)3)12(14)7-10(13)4/h10-12,14H,2,5-8H2,1,3-4H3
InChIKeyBKUPLJFLXFECNH-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.04
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-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-Cyclopropyl-3-methyl-1-piperidin-1-ylbut-3-en-2-ol
CID 91042850
1-(3-Ethylhex-5-en-2-yl)piperidin-4-ol
CID 145590016
1-[(4-Ethenylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302649
2-Methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 155721116
1-[4-(3-Methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039266
(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11550177
(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11579233
(2S,4S,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11701078

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol (CID 123603830) is 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol is C=C(C)CC1CN(CC)C(C)CC1O.
What is the InChIKey of 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol?
The InChIKey is BKUPLJFLXFECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13-8-11(6-9(2)3)12(14)7-10(13)4/h10-12,14H,2,5-8H2,1,3-4H3.
What are the key properties of 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol?
1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol is sourced from PubChem (CID 123603830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).