ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol

C16H27NO — CID 91312100

IUPACethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
SMILESCC.Cc1ccccc1C[C@H](O)C1CCNCC1
InChIInChI=1S/C14H21NO.C2H6/c1-11-4-2-3-5-13(11)10-14(16)12-6-8-15-9-7-12;1-2/h2-5,12,14-16H,6-10H2,1H3;1-2H3/t14-;/m0./s1
InChIKeyWVKLULBCDLODAJ-UQKRIMTDSA-N
MW249.40 g/mol
LogP2.92
Rot. Bonds3

About ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol

ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol (PubChem CID 91312100) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Nameethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
PubChem CID91312100
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
SMILESCC.Cc1ccccc1C[C@H](O)C1CCNCC1
InChIInChI=1S/C14H21NO.C2H6/c1-11-4-2-3-5-13(11)10-14(16)12-6-8-15-9-7-12;1-2/h2-5,12,14-16H,6-10H2,1H3;1-2H3/t14-;/m0./s1
InChIKeyWVKLULBCDLODAJ-UQKRIMTDSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58870110
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1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
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N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
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1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
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CID 114458939

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol (CID 91312100) is ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol is CC.Cc1ccccc1C[C@H](O)C1CCNCC1.
What is the InChIKey of ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol?
The InChIKey is WVKLULBCDLODAJ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-11-4-2-3-5-13(11)10-14(16)12-6-8-15-9-7-12;1-2/h2-5,12,14-16H,6-10H2,1H3;1-2H3/t14-;/m0./s1.
What are the key properties of ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol?
ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol has a molecular weight of 249.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 91312100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).