2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol

C17H33NO — CID 79064908

IUPAC2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCCC(C)C1)N1CCCCC1
InChIInChI=1S/C17H33NO/c1-4-17(3,18-11-6-5-7-12-18)16(19)15-10-8-9-14(2)13-15/h14-16,19H,4-13H2,1-3H3
InChIKeyPYGZLGJIJLWDJM-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.83
Rot. Bonds4

About 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol

2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol (PubChem CID 79064908) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
PubChem CID79064908
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCCC(C)C1)N1CCCCC1
InChIInChI=1S/C17H33NO/c1-4-17(3,18-11-6-5-7-12-18)16(19)15-10-8-9-14(2)13-15/h14-16,19H,4-13H2,1-3H3
InChIKeyPYGZLGJIJLWDJM-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
CID 79045834
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79060672
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
[2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241067
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069201
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol?
The IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol (CID 79064908) is 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol is CCC(C)(C(O)C1CCCC(C)C1)N1CCCCC1.
What is the InChIKey of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol?
The InChIKey is PYGZLGJIJLWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-17(3,18-11-6-5-7-12-18)16(19)15-10-8-9-14(2)13-15/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol?
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 79064908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).