ethane;methanol;1-phenylpiperidine

C14H25NO — CID 177175072

IUPACethane;methanol;1-phenylpiperidine
SMILESCC.CO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C2H6.CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1,3-4,7-8H,2,5-6,9-10H2;1-2H3;2H,1H3
InChIKeyKODROPOYZVOSIH-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.31
Rot. Bonds1

About ethane;methanol;1-phenylpiperidine

ethane;methanol;1-phenylpiperidine (PubChem CID 177175072) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;methanol;1-phenylpiperidine.

Molecular Properties

Compound Nameethane;methanol;1-phenylpiperidine
PubChem CID177175072
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;methanol;1-phenylpiperidine
SMILESCC.CO.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C2H6.CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1,3-4,7-8H,2,5-6,9-10H2;1-2H3;2H,1H3
InChIKeyKODROPOYZVOSIH-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
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butanamide;1-phenylpiperidine
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(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
ethyl formate;1-phenylpiperidine
CID 174893706
(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
CID 67230654
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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-phenylpiperidine?
The IUPAC name of ethane;methanol;1-phenylpiperidine (CID 177175072) is ethane;methanol;1-phenylpiperidine.
What is the SMILES notation for ethane;methanol;1-phenylpiperidine?
The canonical SMILES for ethane;methanol;1-phenylpiperidine is CC.CO.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of ethane;methanol;1-phenylpiperidine?
The InChIKey is KODROPOYZVOSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6.CH4O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1,3-4,7-8H,2,5-6,9-10H2;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-phenylpiperidine?
ethane;methanol;1-phenylpiperidine has a molecular weight of 223.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-phenylpiperidine is sourced from PubChem (CID 177175072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).