butyl (6R)-6-methylpiperidine-2-carboxylate chloride

C11H21ClNO2- — CID 53313724

IUPACbutyl (6R)-6-methylpiperidine-2-carboxylate chloride
SMILESCCCCOC(=O)C1CCC[C@@H](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/p-1/t9-,10?;/m1./s1
InChIKeyKEXDWNYDFPGSCM-UVUXOWFKSA-M
MW234.75 g/mol
LogP-1.14
Rot. Bonds4

About butyl (6R)-6-methylpiperidine-2-carboxylate chloride

butyl (6R)-6-methylpiperidine-2-carboxylate chloride (PubChem CID 53313724) has the molecular formula C11H21ClNO2- and a molecular weight of 234.75 g/mol. Its IUPAC name is butyl (6R)-6-methylpiperidine-2-carboxylate chloride.

Molecular Properties

Compound Namebutyl (6R)-6-methylpiperidine-2-carboxylate chloride
PubChem CID53313724
Molecular FormulaC11H21ClNO2-
Molecular Weight234.75 g/mol
Exact Mass234.13
IUPAC Namebutyl (6R)-6-methylpiperidine-2-carboxylate chloride
SMILESCCCCOC(=O)C1CCC[C@@H](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/p-1/t9-,10?;/m1./s1
InChIKeyKEXDWNYDFPGSCM-UVUXOWFKSA-M
XLogP-1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 5-1.14
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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Related Compounds

butyl (2R,6R)-6-methylpiperidine-2-carboxylate
CID 7047096
butyl (2S)-piperidine-2-carboxylate
CID 54130362
butyl (3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
CID 118312112
butyl 4-oxoazetidine-2-carboxylate
CID 70500424
heptyl pyrrolidine-2-carboxylate
CID 14777077
octyl (2R)-piperidine-2-carboxylate
CID 11096763
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880
hexyl azocane-2-carboxylate
CID 114239843
dodecyl 2-[1-(6-methylpiperidine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 54856126
3-O-butyl 1-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984581
butyl (2S,6R)-6-methylpiperidin-1-ium-2-carboxylate
CID 7047097
butyl 2-methylpiperidine-4-carboxylate
CID 106743768

Frequently Asked Questions

What is the IUPAC name of butyl (6R)-6-methylpiperidine-2-carboxylate chloride?
The IUPAC name of butyl (6R)-6-methylpiperidine-2-carboxylate chloride (CID 53313724) is butyl (6R)-6-methylpiperidine-2-carboxylate chloride.
What is the SMILES notation for butyl (6R)-6-methylpiperidine-2-carboxylate chloride?
The canonical SMILES for butyl (6R)-6-methylpiperidine-2-carboxylate chloride is CCCCOC(=O)C1CCC[C@@H](C)N1.[Cl-].
What is the InChIKey of butyl (6R)-6-methylpiperidine-2-carboxylate chloride?
The InChIKey is KEXDWNYDFPGSCM-UVUXOWFKSA-M. 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/p-1/t9-,10?;/m1./s1.
What are the key properties of butyl (6R)-6-methylpiperidine-2-carboxylate chloride?
butyl (6R)-6-methylpiperidine-2-carboxylate chloride has a molecular weight of 234.75 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (6R)-6-methylpiperidine-2-carboxylate chloride is sourced from PubChem (CID 53313724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).