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

C12H23NO — CID 143202489

IUPAC3-(3-methoxypropyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CCCOC)C1
InChIInChI=1S/C12H23NO/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2/h3,12H,1,4-11H2,2H3
InChIKeyUQFKEFFELUJXAL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds6

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

3-(3-methoxypropyl)-1-prop-2-enylpiperidine (PubChem CID 143202489) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-prop-2-enylpiperidine
PubChem CID143202489
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3-methoxypropyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CCCOC)C1
InChIInChI=1S/C12H23NO/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2/h3,12H,1,4-11H2,2H3
InChIKeyUQFKEFFELUJXAL-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
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
Ethane;3-(3-methoxypropyl)-1-prop-2-enylpiperidine
CID 143202488
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 3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The IUPAC name of 3-(3-methoxypropyl)-1-prop-2-enylpiperidine (CID 143202489) is 3-(3-methoxypropyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for 3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The canonical SMILES for 3-(3-methoxypropyl)-1-prop-2-enylpiperidine is C=CCN1CCCC(CCCOC)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
The InChIKey is UQFKEFFELUJXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-8-13-9-4-6-12(11-13)7-5-10-14-2/h3,12H,1,4-11H2,2H3.
What are the key properties of 3-(3-methoxypropyl)-1-prop-2-enylpiperidine?
3-(3-methoxypropyl)-1-prop-2-enylpiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 143202489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).