2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol

C15H29NO2 — CID 102967584

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOC1CCCN(CC2CC(C)(C)CCC2O)C1
InChIInChI=1S/C15H29NO2/c1-15(2)7-6-14(17)12(9-15)10-16-8-4-5-13(11-16)18-3/h12-14,17H,4-11H2,1-3H3
InChIKeyRUTJOJALOYVCKD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.28
Rot. Bonds3

About 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol

2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 102967584) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID102967584
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOC1CCCN(CC2CC(C)(C)CCC2O)C1
InChIInChI=1S/C15H29NO2/c1-15(2)7-6-14(17)12(9-15)10-16-8-4-5-13(11-16)18-3/h12-14,17H,4-11H2,1-3H3
InChIKeyRUTJOJALOYVCKD-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 103539245
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 103538949
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]-4,4-dimethylcyclohexan-1-ol
CID 116638238
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102967450
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 102965548
3-[(3-methoxypiperidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 102963855
2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966895
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 102967140
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol (CID 102967584) is 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol is COC1CCCN(CC2CC(C)(C)CCC2O)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is RUTJOJALOYVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2)7-6-14(17)12(9-15)10-16-8-4-5-13(11-16)18-3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 102967584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).