butyl 2-(3-methylpiperidin-1-yl)acetate

C12H23NO2 — CID 60683573

IUPACbutyl 2-(3-methylpiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-3-4-8-15-12(14)10-13-7-5-6-11(2)9-13/h11H,3-10H2,1-2H3
InChIKeyAKEZVWRVMFDKKM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

About butyl 2-(3-methylpiperidin-1-yl)acetate

butyl 2-(3-methylpiperidin-1-yl)acetate (PubChem CID 60683573) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is butyl 2-(3-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-methylpiperidin-1-yl)acetate
PubChem CID60683573
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namebutyl 2-(3-methylpiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-3-4-8-15-12(14)10-13-7-5-6-11(2)9-13/h11H,3-10H2,1-2H3
InChIKeyAKEZVWRVMFDKKM-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-methylpiperidin-1-yl)acetate?
The IUPAC name of butyl 2-(3-methylpiperidin-1-yl)acetate (CID 60683573) is butyl 2-(3-methylpiperidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(3-methylpiperidin-1-yl)acetate?
The canonical SMILES for butyl 2-(3-methylpiperidin-1-yl)acetate is CCCCOC(=O)CN1CCCC(C)C1.
What is the InChIKey of butyl 2-(3-methylpiperidin-1-yl)acetate?
The InChIKey is AKEZVWRVMFDKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-8-15-12(14)10-13-7-5-6-11(2)9-13/h11H,3-10H2,1-2H3.
What are the key properties of butyl 2-(3-methylpiperidin-1-yl)acetate?
butyl 2-(3-methylpiperidin-1-yl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 60683573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).