1-ethyl-4-(3-methylbutyl)piperidin-4-ol

C12H25NO — CID 65146637

IUPAC1-ethyl-4-(3-methylbutyl)piperidin-4-ol
SMILESCCN1CCC(O)(CCC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-4-13-9-7-12(14,8-10-13)6-5-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyXDVJBLWYBADFQP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

About 1-ethyl-4-(3-methylbutyl)piperidin-4-ol

1-ethyl-4-(3-methylbutyl)piperidin-4-ol (PubChem CID 65146637) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(3-methylbutyl)piperidin-4-ol
PubChem CID65146637
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-ethyl-4-(3-methylbutyl)piperidin-4-ol
SMILESCCN1CCC(O)(CCC(C)C)CC1
InChIInChI=1S/C12H25NO/c1-4-13-9-7-12(14,8-10-13)6-5-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyXDVJBLWYBADFQP-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-but-3-ynyl-1-ethylpiperidin-4-ol
CID 63656680
4-(4-methylpentyl)-1-propylpiperidin-4-ol
CID 83158060
1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
4-decyl-1-ethylpiperidin-4-ol
CID 65146691
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
1,3-diethylpyrrolidin-3-ol
CID 67586028
1-ethyl-4-(3-methoxypropyl)azepan-4-ol
CID 114852274
1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
CID 62393991
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
CID 54523521

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylbutyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(3-methylbutyl)piperidin-4-ol (CID 65146637) is 1-ethyl-4-(3-methylbutyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(3-methylbutyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(3-methylbutyl)piperidin-4-ol is CCN1CCC(O)(CCC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(3-methylbutyl)piperidin-4-ol?
The InChIKey is XDVJBLWYBADFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13-9-7-12(14,8-10-13)6-5-11(2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-methylbutyl)piperidin-4-ol?
1-ethyl-4-(3-methylbutyl)piperidin-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylbutyl)piperidin-4-ol is sourced from PubChem (CID 65146637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).