2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol

C16H31NO — CID 55094774

IUPAC2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC(C)CC2C)C1
InChIInChI=1S/C16H31NO/c1-4-14-5-6-16(18)15(10-14)11-17-8-7-12(2)9-13(17)3/h12-16,18H,4-11H2,1-3H3
InChIKeyNKYOJVGIXIXPON-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol

2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 55094774) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID55094774
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC(C)CC2C)C1
InChIInChI=1S/C16H31NO/c1-4-14-5-6-16(18)15(10-14)11-17-8-7-12(2)9-13(17)3/h12-16,18H,4-11H2,1-3H3
InChIKeyNKYOJVGIXIXPON-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol (CID 55094774) is 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN2CCC(C)CC2C)C1.
What is the InChIKey of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is NKYOJVGIXIXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-14-5-6-16(18)15(10-14)11-17-8-7-12(2)9-13(17)3/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol?
2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 55094774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).