3-but-2-ynoxy-3-methylpiperidine

C10H17NO — CID 107385814

IUPAC3-but-2-ynoxy-3-methylpiperidine
SMILESCC#CCOC1(C)CCCNC1
InChIInChI=1S/C10H17NO/c1-3-4-8-12-10(2)6-5-7-11-9-10/h11H,5-9H2,1-2H3
InChIKeyOZAJDKPEUJWUIH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds2

About 3-but-2-ynoxy-3-methylpiperidine

3-but-2-ynoxy-3-methylpiperidine (PubChem CID 107385814) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-but-2-ynoxy-3-methylpiperidine.

Molecular Properties

Compound Name3-but-2-ynoxy-3-methylpiperidine
PubChem CID107385814
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-but-2-ynoxy-3-methylpiperidine
SMILESCC#CCOC1(C)CCCNC1
InChIInChI=1S/C10H17NO/c1-3-4-8-12-10(2)6-5-7-11-9-10/h11H,5-9H2,1-2H3
InChIKeyOZAJDKPEUJWUIH-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
CID 107385578
3-(2-ethylsulfanylethoxy)-3-methylpiperidine
CID 107385607
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
CID 107385838
3-fluoro-4-[(3-methylpiperidin-3-yl)oxymethyl]benzonitrile
CID 107385655
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]piperidine
CID 107385886
3-methyl-3-(naphthalen-1-ylmethoxy)piperidine
CID 107385701
3-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 107385713
3-methyl-N-pent-3-ynylpiperidine-3-carboxamide
CID 116644144
N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622

Frequently Asked Questions

What is the IUPAC name of 3-but-2-ynoxy-3-methylpiperidine?
The IUPAC name of 3-but-2-ynoxy-3-methylpiperidine (CID 107385814) is 3-but-2-ynoxy-3-methylpiperidine.
What is the SMILES notation for 3-but-2-ynoxy-3-methylpiperidine?
The canonical SMILES for 3-but-2-ynoxy-3-methylpiperidine is CC#CCOC1(C)CCCNC1.
What is the InChIKey of 3-but-2-ynoxy-3-methylpiperidine?
The InChIKey is OZAJDKPEUJWUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-8-12-10(2)6-5-7-11-9-10/h11H,5-9H2,1-2H3.
What are the key properties of 3-but-2-ynoxy-3-methylpiperidine?
3-but-2-ynoxy-3-methylpiperidine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-ynoxy-3-methylpiperidine is sourced from PubChem (CID 107385814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).