ethane;ethene;1-(4-methoxyphenyl)piperidine

C16H27NO — CID 144518047

IUPACethane;ethene;1-(4-methoxyphenyl)piperidine
SMILESC=C.CC.COc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17NO.C2H6.C2H4/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;1-2H3;1-2H2
InChIKeyUFPUYUIVCJCLSM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.51
Rot. Bonds2

About ethane;ethene;1-(4-methoxyphenyl)piperidine

ethane;ethene;1-(4-methoxyphenyl)piperidine (PubChem CID 144518047) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;ethene;1-(4-methoxyphenyl)piperidine.

Molecular Properties

Compound Nameethane;ethene;1-(4-methoxyphenyl)piperidine
PubChem CID144518047
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;ethene;1-(4-methoxyphenyl)piperidine
SMILESC=C.CC.COc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17NO.C2H6.C2H4/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;1-2H3;1-2H2
InChIKeyUFPUYUIVCJCLSM-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)piperidine
CID 10130315
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(Z)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 21307379
(E)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 22731222
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
1-(3-methoxyphenyl)azepane
CID 57276431
3-chloro-4-(4-methoxyphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110583148
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)-1,4-diazocan-5-one
CID 117015473
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-(4-methoxyphenyl)piperidine?
The IUPAC name of ethane;ethene;1-(4-methoxyphenyl)piperidine (CID 144518047) is ethane;ethene;1-(4-methoxyphenyl)piperidine.
What is the SMILES notation for ethane;ethene;1-(4-methoxyphenyl)piperidine?
The canonical SMILES for ethane;ethene;1-(4-methoxyphenyl)piperidine is C=C.CC.COc1ccc(N2CCCCC2)cc1.
What is the InChIKey of ethane;ethene;1-(4-methoxyphenyl)piperidine?
The InChIKey is UFPUYUIVCJCLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C2H6.C2H4/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;2*1-2/h5-8H,2-4,9-10H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-(4-methoxyphenyl)piperidine?
ethane;ethene;1-(4-methoxyphenyl)piperidine has a molecular weight of 249.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-(4-methoxyphenyl)piperidine is sourced from PubChem (CID 144518047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).