1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol

C16H31NO — CID 154850465

IUPAC1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol
SMILESCC1CCCC(CCN2CCCCC2C(C)O)C1
InChIInChI=1S/C16H31NO/c1-13-6-5-7-15(12-13)9-11-17-10-4-3-8-16(17)14(2)18/h13-16,18H,3-12H2,1-2H3
InChIKeyIQAVUOOXSLHRKU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol

1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol (PubChem CID 154850465) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol
PubChem CID154850465
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol
SMILESCC1CCCC(CCN2CCCCC2C(C)O)C1
InChIInChI=1S/C16H31NO/c1-13-6-5-7-15(12-13)9-11-17-10-4-3-8-16(17)14(2)18/h13-16,18H,3-12H2,1-2H3
InChIKeyIQAVUOOXSLHRKU-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol (CID 154850465) is 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol is CC1CCCC(CCN2CCCCC2C(C)O)C1.
What is the InChIKey of 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol?
The InChIKey is IQAVUOOXSLHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-6-5-7-15(12-13)9-11-17-10-4-3-8-16(17)14(2)18/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol?
1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 154850465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).