butyl 6-methylpiperidine-2-carboxylate;hydrochloride

C11H22ClNO2 — CID 2834679

IUPACbutyl 6-methylpiperidine-2-carboxylate;hydrochloride
SMILESCCCCOC(=O)C1CCCC(C)N1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyKEXDWNYDFPGSCM-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.28
Rot. Bonds4

About butyl 6-methylpiperidine-2-carboxylate;hydrochloride

butyl 6-methylpiperidine-2-carboxylate;hydrochloride (PubChem CID 2834679) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is butyl 6-methylpiperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebutyl 6-methylpiperidine-2-carboxylate;hydrochloride
PubChem CID2834679
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Namebutyl 6-methylpiperidine-2-carboxylate;hydrochloride
SMILESCCCCOC(=O)C1CCCC(C)N1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyKEXDWNYDFPGSCM-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The IUPAC name of butyl 6-methylpiperidine-2-carboxylate;hydrochloride (CID 2834679) is butyl 6-methylpiperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for butyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The canonical SMILES for butyl 6-methylpiperidine-2-carboxylate;hydrochloride is CCCCOC(=O)C1CCCC(C)N1.Cl.
What is the InChIKey of butyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The InChIKey is KEXDWNYDFPGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of butyl 6-methylpiperidine-2-carboxylate;hydrochloride?
butyl 6-methylpiperidine-2-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-methylpiperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 2834679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).