ethane;1-methyl-3-phenoxypiperidine

C18H35NO — CID 176561362

IUPACethane;1-methyl-3-phenoxypiperidine
SMILESCC.CC.CC.CN1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C12H17NO.3C2H6/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;3*1-2/h2-4,6-7,12H,5,8-10H2,1H3;3*1-2H3
InChIKeyKCJGUJPVJOMFTL-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.24
Rot. Bonds2

About ethane;1-methyl-3-phenoxypiperidine

ethane;1-methyl-3-phenoxypiperidine (PubChem CID 176561362) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is ethane;1-methyl-3-phenoxypiperidine.

Molecular Properties

Compound Nameethane;1-methyl-3-phenoxypiperidine
PubChem CID176561362
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameethane;1-methyl-3-phenoxypiperidine
SMILESCC.CC.CC.CN1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C12H17NO.3C2H6/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;3*1-2/h2-4,6-7,12H,5,8-10H2,1H3;3*1-2H3
InChIKeyKCJGUJPVJOMFTL-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[4-[(E)-2-phenylethenyl]phenoxy]piperidine
CID 134126069
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
CID 176675609
1,4-dimethyl-6-phenoxy-1,4-diazepane;6-ethoxy-1,4-dimethyl-1,4-diazepane
CID 159345982
3-methyl-3-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117470826
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
CID 115005736
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
CID 140799111
CID 140799111
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-phenoxypiperidine?
The IUPAC name of ethane;1-methyl-3-phenoxypiperidine (CID 176561362) is ethane;1-methyl-3-phenoxypiperidine.
What is the SMILES notation for ethane;1-methyl-3-phenoxypiperidine?
The canonical SMILES for ethane;1-methyl-3-phenoxypiperidine is CC.CC.CC.CN1CCCC(Oc2ccccc2)C1.
What is the InChIKey of ethane;1-methyl-3-phenoxypiperidine?
The InChIKey is KCJGUJPVJOMFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.3C2H6/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;3*1-2/h2-4,6-7,12H,5,8-10H2,1H3;3*1-2H3.
What are the key properties of ethane;1-methyl-3-phenoxypiperidine?
ethane;1-methyl-3-phenoxypiperidine has a molecular weight of 281.48 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-phenoxypiperidine is sourced from PubChem (CID 176561362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).