but-3-ynyl 4-methylpiperidine-1-carboxylate

C11H17NO2 — CID 89002890

IUPACbut-3-ynyl 4-methylpiperidine-1-carboxylate
SMILESC#CCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H17NO2/c1-3-4-9-14-11(13)12-7-5-10(2)6-8-12/h1,10H,4-9H2,2H3
InChIKeyYGNUKFLTTPSYDB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds2

About but-3-ynyl 4-methylpiperidine-1-carboxylate

but-3-ynyl 4-methylpiperidine-1-carboxylate (PubChem CID 89002890) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is but-3-ynyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebut-3-ynyl 4-methylpiperidine-1-carboxylate
PubChem CID89002890
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namebut-3-ynyl 4-methylpiperidine-1-carboxylate
SMILESC#CCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C11H17NO2/c1-3-4-9-14-11(13)12-7-5-10(2)6-8-12/h1,10H,4-9H2,2H3
InChIKeyYGNUKFLTTPSYDB-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropyl 4-methylpiperidine-1-carboxylate
CID 103970714
but-3-ynyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 89002796
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
CID 79337921
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
methane;3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl 4-methylpiperidine-1-carboxylate
CID 162122110
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
1-(4-methylpiperidin-1-yl)prop-2-yn-1-one
CID 126997659
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
CID 110930318
methyl 4-methylazocane-1-carboxylate
CID 91583832
2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
CID 142542047
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546

Frequently Asked Questions

What is the IUPAC name of but-3-ynyl 4-methylpiperidine-1-carboxylate?
The IUPAC name of but-3-ynyl 4-methylpiperidine-1-carboxylate (CID 89002890) is but-3-ynyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for but-3-ynyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for but-3-ynyl 4-methylpiperidine-1-carboxylate is C#CCCOC(=O)N1CCC(C)CC1.
What is the InChIKey of but-3-ynyl 4-methylpiperidine-1-carboxylate?
The InChIKey is YGNUKFLTTPSYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-9-14-11(13)12-7-5-10(2)6-8-12/h1,10H,4-9H2,2H3.
What are the key properties of but-3-ynyl 4-methylpiperidine-1-carboxylate?
but-3-ynyl 4-methylpiperidine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 89002890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).