2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol

C16H31NO2 — CID 64735093

IUPAC2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCOC1CCCN(CC2C(C)CC(C)CC2O)C1
InChIInChI=1S/C16H31NO2/c1-4-19-14-6-5-7-17(10-14)11-15-13(3)8-12(2)9-16(15)18/h12-16,18H,4-11H2,1-3H3
InChIKeyUHCLUBWYNIVZFV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.53
Rot. Bonds4

About 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol

2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735093) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64735093
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCOC1CCCN(CC2C(C)CC(C)CC2O)C1
InChIInChI=1S/C16H31NO2/c1-4-19-14-6-5-7-17(10-14)11-15-13(3)8-12(2)9-16(15)18/h12-16,18H,4-11H2,1-3H3
InChIKeyUHCLUBWYNIVZFV-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol (CID 64735093) is 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol is CCOC1CCCN(CC2C(C)CC(C)CC2O)C1.
What is the InChIKey of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is UHCLUBWYNIVZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-19-14-6-5-7-17(10-14)11-15-13(3)8-12(2)9-16(15)18/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol?
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).