1-(1,1-dimethoxynon-3-en-5-yl)piperidine

C16H31NO2 — CID 3597914

IUPAC1-(1,1-dimethoxynon-3-en-5-yl)piperidine
SMILESCCCCC(C=CCC(OC)OC)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-4-5-10-15(17-13-7-6-8-14-17)11-9-12-16(18-2)19-3/h9,11,15-16H,4-8,10,12-14H2,1-3H3
InChIKeyFWJQLJUOADUGMN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.60
Rot. Bonds9

About 1-(1,1-dimethoxynon-3-en-5-yl)piperidine

1-(1,1-dimethoxynon-3-en-5-yl)piperidine (PubChem CID 3597914) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1,1-dimethoxynon-3-en-5-yl)piperidine.

Molecular Properties

Compound Name1-(1,1-dimethoxynon-3-en-5-yl)piperidine
PubChem CID3597914
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(1,1-dimethoxynon-3-en-5-yl)piperidine
SMILESCCCCC(C=CCC(OC)OC)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-4-5-10-15(17-13-7-6-8-14-17)11-9-12-16(18-2)19-3/h9,11,15-16H,4-8,10,12-14H2,1-3H3
InChIKeyFWJQLJUOADUGMN-UHFFFAOYSA-N
XLogP3.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-6,6-dimethoxyhex-3-en-2-yl]piperidine
CID 12625778
1-(6,6-Dimethoxyhex-3-en-2-yl)piperidine
CID 57162000
N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
CID 151655071
1,1-diethoxy-N,N-dimethyltridec-3-en-5-amine
CID 152205505
1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
CID 172680926
5-Piperidino-3-nonenal dimethyl acetal
CID 5871188
1-[(E,5S)-1,1-dimethoxynon-3-en-5-yl]piperidine
CID 92197458
1-[(E,5R)-1,1-dimethoxynon-3-en-5-yl]piperidine
CID 92197459

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxynon-3-en-5-yl)piperidine?
The IUPAC name of 1-(1,1-dimethoxynon-3-en-5-yl)piperidine (CID 3597914) is 1-(1,1-dimethoxynon-3-en-5-yl)piperidine.
What is the SMILES notation for 1-(1,1-dimethoxynon-3-en-5-yl)piperidine?
The canonical SMILES for 1-(1,1-dimethoxynon-3-en-5-yl)piperidine is CCCCC(C=CCC(OC)OC)N1CCCCC1.
What is the InChIKey of 1-(1,1-dimethoxynon-3-en-5-yl)piperidine?
The InChIKey is FWJQLJUOADUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-5-10-15(17-13-7-6-8-14-17)11-9-12-16(18-2)19-3/h9,11,15-16H,4-8,10,12-14H2,1-3H3.
What are the key properties of 1-(1,1-dimethoxynon-3-en-5-yl)piperidine?
1-(1,1-dimethoxynon-3-en-5-yl)piperidine has a molecular weight of 269.43 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxynon-3-en-5-yl)piperidine is sourced from PubChem (CID 3597914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).