1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene

C13H27NO — CID 142009708

IUPAC1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene
SMILESC=CC.COCCN1CCC(C)(C)CC1
InChIInChI=1S/C10H21NO.C3H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-3-2/h4-9H2,1-3H3;3H,1H2,2H3
InChIKeyVTUDBCVHRWOIGD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.95
Rot. Bonds3

About 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene

1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene (PubChem CID 142009708) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene
PubChem CID142009708
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene
SMILESC=CC.COCCN1CCC(C)(C)CC1
InChIInChI=1S/C10H21NO.C3H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-3-2/h4-9H2,1-3H3;3H,1H2,2H3
InChIKeyVTUDBCVHRWOIGD-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-4,4-dimethylpiperidine
CID 18722893
4-(3-Ethyl-3-methylpentyl)morpholine
CID 53892310
4-Ethenyl-1-(2-methoxyethyl)piperidine
CID 58550058
4-(3,3-Dimethylpentyl)morpholine
CID 68398113
4-Ethyl-1-(2-methoxyethyl)-4-methylpiperidine
CID 130401457
N-ethyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine;prop-1-ene
CID 142009383
Methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine
CID 142009450
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene
CID 142009572
4,4-Dimethyl-1-(2-propoxyethyl)piperidine
CID 142902675
1-(2-Ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
Ethane;1-(2-methoxyethyl)piperidine;prop-1-ene
CID 144616898
Ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene?
The IUPAC name of 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene (CID 142009708) is 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene.
What is the SMILES notation for 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene?
The canonical SMILES for 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene is C=CC.COCCN1CCC(C)(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene?
The InChIKey is VTUDBCVHRWOIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C3H6/c1-10(2)4-6-11(7-5-10)8-9-12-3;1-3-2/h4-9H2,1-3H3;3H,1H2,2H3.
What are the key properties of 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene?
1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene has a molecular weight of 213.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene is sourced from PubChem (CID 142009708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).