ethane;3-(3-methoxypropyl)-1-methylpiperidine

C12H27NO — CID 178097815

IUPACethane;3-(3-methoxypropyl)-1-methylpiperidine
SMILESCC.COCCCC1CCCN(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-11-7-3-5-10(9-11)6-4-8-12-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyQNECQRXOQJQQBV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds4

About ethane;3-(3-methoxypropyl)-1-methylpiperidine

ethane;3-(3-methoxypropyl)-1-methylpiperidine (PubChem CID 178097815) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;3-(3-methoxypropyl)-1-methylpiperidine.

Molecular Properties

Compound Nameethane;3-(3-methoxypropyl)-1-methylpiperidine
PubChem CID178097815
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;3-(3-methoxypropyl)-1-methylpiperidine
SMILESCC.COCCCC1CCCN(C)C1
InChIInChI=1S/C10H21NO.C2H6/c1-11-7-3-5-10(9-11)6-4-8-12-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyQNECQRXOQJQQBV-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methoxyethyl)-1-propylpiperidine
CID 134579822
3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 174903886
2-Fluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
CID 105436248
1-(Fluoromethyl)-4-(2-methoxyethyl)piperidine
CID 154684316
3-(3-Methoxypropyl)piperidine
CID 4712479
3-(2-Methoxyethyl)-1-methylpiperidine
CID 17976531
3-(Methoxymethyl)-1-methylpiperidine
CID 18682727
1,3,4-Trimethyl-3-(3-methylperoxypropyl)piperidine
CID 18684988
3-[3-(Cyclopropylmethoxy)propyl]-1,2,4-trimethylpiperidine
CID 19097412
3-(3-Methoxypropyl)-1,2,3,4-tetramethylpiperidine
CID 19097421
3-(1-Propan-2-ylpiperidin-3-yl)propan-1-ol
CID 19097422
3-(Methoxymethyl)-1-azabicyclo[3.3.1]nonane
CID 19848690

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methoxypropyl)-1-methylpiperidine?
The IUPAC name of ethane;3-(3-methoxypropyl)-1-methylpiperidine (CID 178097815) is ethane;3-(3-methoxypropyl)-1-methylpiperidine.
What is the SMILES notation for ethane;3-(3-methoxypropyl)-1-methylpiperidine?
The canonical SMILES for ethane;3-(3-methoxypropyl)-1-methylpiperidine is CC.COCCCC1CCCN(C)C1.
What is the InChIKey of ethane;3-(3-methoxypropyl)-1-methylpiperidine?
The InChIKey is QNECQRXOQJQQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-11-7-3-5-10(9-11)6-4-8-12-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(3-methoxypropyl)-1-methylpiperidine?
ethane;3-(3-methoxypropyl)-1-methylpiperidine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 4 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-methylpiperidine is sourced from PubChem (CID 178097815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).