ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine

C14H29NO — CID 143202488

IUPACethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CCCOC)C1.CC
InChIInChI=1S/C12H23NO.C2H6/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2;1-2/h3,12H,1,4-11H2,2H3;1-2H3
InChIKeyFMXFZTKMFPWFON-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.34
Rot. Bonds6

About ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine

ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine (PubChem CID 143202488) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Nameethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine
PubChem CID143202488
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Nameethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CCCOC)C1.CC
InChIInChI=1S/C12H23NO.C2H6/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2;1-2/h3,12H,1,4-11H2,2H3;1-2H3
InChIKeyFMXFZTKMFPWFON-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-(3-methoxypropyl)piperidine
CID 91151969
3-(3-Methoxypropyl)-1-prop-2-enylpiperidine
CID 143202489
3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane
CID 143202530
(3S)-1-ethyl-3-(3-methoxypropyl)piperidine
CID 173019181
Ethane;3-(3-methoxypropyl)-1-methylpiperidine
CID 178097815
1-(3-Methylbut-2-enyl)-4-(oxan-3-yl)piperidine
CID 137861828
3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol
CID 143202531
3-(3-Methoxypropyl)-1-methylpiperidine
CID 178097816

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The IUPAC name of ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine (CID 143202488) is ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The canonical SMILES for ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine is C=CCN1CCCC(CCCOC)C1.CC.
What is the InChIKey of ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The InChIKey is FMXFZTKMFPWFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2;1-2/h3,12H,1,4-11H2,2H3;1-2H3.
What are the key properties of ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 143202488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).