3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol

C12H23NO — CID 114510855

IUPAC3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol
SMILESC=C(C)CCN1CCC(O)C(CC)C1
InChIInChI=1S/C12H23NO/c1-4-11-9-13(7-5-10(2)3)8-6-12(11)14/h11-12,14H,2,4-9H2,1,3H3
InChIKeyYUNDASLZNBKGEM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds4

About 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol

3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol (PubChem CID 114510855) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol
PubChem CID114510855
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol
SMILESC=C(C)CCN1CCC(O)C(CC)C1
InChIInChI=1S/C12H23NO/c1-4-11-9-13(7-5-10(2)3)8-6-12(11)14/h11-12,14H,2,4-9H2,1,3H3
InChIKeyYUNDASLZNBKGEM-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
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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Related Compounds

1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
1-(2,6-Dimethyl-5-hepten-1-yl)-4-piperidinol
CID 2846177
Cambridge id 5429856
CID 783454
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278
3-Ethyl-1-methylpiperidin-4-ol
CID 18730022
1,3-Dimethyl-3-prop-2-enylpiperidin-4-ol
CID 20616580
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol (CID 114510855) is 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol is C=C(C)CCN1CCC(O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol?
The InChIKey is YUNDASLZNBKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11-9-13(7-5-10(2)3)8-6-12(11)14/h11-12,14H,2,4-9H2,1,3H3.
What are the key properties of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol?
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol is sourced from PubChem (CID 114510855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).