4-butoxy-1-methylpiperidine;ethane

C12H27NO — CID 143443948

IUPAC4-butoxy-1-methylpiperidine;ethane
SMILESCC.CCCCOC1CCN(C)CC1
InChIInChI=1S/C10H21NO.C2H6/c1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyKAQMDAJTIPNKNX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.92
Rot. Bonds4

About 4-butoxy-1-methylpiperidine;ethane

4-butoxy-1-methylpiperidine;ethane (PubChem CID 143443948) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-butoxy-1-methylpiperidine;ethane.

Molecular Properties

Compound Name4-butoxy-1-methylpiperidine;ethane
PubChem CID143443948
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-butoxy-1-methylpiperidine;ethane
SMILESCC.CCCCOC1CCN(C)CC1
InChIInChI=1S/C10H21NO.C2H6/c1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyKAQMDAJTIPNKNX-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butoxy-1-methylpiperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
butoxycyclobutane
CID 54057236
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
1-methyl-4-(4-propoxypiperidin-1-yl)piperidine
CID 169029222
1-methyl-4-propoxyazonane
CID 134172223
4-butoxypiperidine-1-carboxylic acid
CID 69380286
4-butoxy-1,8-diazabicyclo[6.1.0]nonane
CID 69083810
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
heptoxycyclopropane
CID 54099544
1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine
CID 156884985
(3S)-1-methyl-3-[(Z)-octadec-12-enoxy]pyrrolidine
CID 134387955

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-methylpiperidine;ethane?
The IUPAC name of 4-butoxy-1-methylpiperidine;ethane (CID 143443948) is 4-butoxy-1-methylpiperidine;ethane.
What is the SMILES notation for 4-butoxy-1-methylpiperidine;ethane?
The canonical SMILES for 4-butoxy-1-methylpiperidine;ethane is CC.CCCCOC1CCN(C)CC1.
What is the InChIKey of 4-butoxy-1-methylpiperidine;ethane?
The InChIKey is KAQMDAJTIPNKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-3-4-9-12-10-5-7-11(2)8-6-10;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 4-butoxy-1-methylpiperidine;ethane?
4-butoxy-1-methylpiperidine;ethane has a molecular weight of 201.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-methylpiperidine;ethane is sourced from PubChem (CID 143443948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).