6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C16H31NO — CID 79848579

IUPAC6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCCN(CC2CCCC(C)(C)C2O)C1
InChIInChI=1S/C16H31NO/c1-4-13-7-6-10-17(11-13)12-14-8-5-9-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3
InChIKeyWSXDATTWXPBHET-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.30
Rot. Bonds3

About 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol

6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79848579) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79848579
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCCN(CC2CCCC(C)(C)C2O)C1
InChIInChI=1S/C16H31NO/c1-4-13-7-6-10-17(11-13)12-14-8-5-9-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3
InChIKeyWSXDATTWXPBHET-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79848579) is 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is CCC1CCCN(CC2CCCC(C)(C)C2O)C1.
What is the InChIKey of 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is WSXDATTWXPBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-7-6-10-17(11-13)12-14-8-5-9-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).