2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol

C14H21NO — CID 153338552

IUPAC2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol
SMILESCc1cnccc1C1CCC(CCO)CC1
InChIInChI=1S/C14H21NO/c1-11-10-15-8-6-14(11)13-4-2-12(3-5-13)7-9-16/h6,8,10,12-13,16H,2-5,7,9H2,1H3
InChIKeyXNHCOLSPJBNIIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds3

About 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol

2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol (PubChem CID 153338552) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol
PubChem CID153338552
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol
SMILESCc1cnccc1C1CCC(CCO)CC1
InChIInChI=1S/C14H21NO/c1-11-10-15-8-6-14(11)13-4-2-12(3-5-13)7-9-16/h6,8,10,12-13,16H,2-5,7,9H2,1H3
InChIKeyXNHCOLSPJBNIIA-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol?
The IUPAC name of 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol (CID 153338552) is 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol is Cc1cnccc1C1CCC(CCO)CC1.
What is the InChIKey of 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol?
The InChIKey is XNHCOLSPJBNIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-10-15-8-6-14(11)13-4-2-12(3-5-13)7-9-16/h6,8,10,12-13,16H,2-5,7,9H2,1H3.
What are the key properties of 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol?
2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethanol is sourced from PubChem (CID 153338552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).