butyl 4-bromopiperidine-1-carboxylate

C10H18BrNO2 — CID 21219163

IUPACbutyl 4-bromopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8H2,1H3
InChIKeyMIMCIWXSESZEGU-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.78
Rot. Bonds3

About butyl 4-bromopiperidine-1-carboxylate

butyl 4-bromopiperidine-1-carboxylate (PubChem CID 21219163) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is butyl 4-bromopiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-bromopiperidine-1-carboxylate
PubChem CID21219163
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Namebutyl 4-bromopiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8H2,1H3
InChIKeyMIMCIWXSESZEGU-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 4-(4-cyanopiperidin-1-yl)piperidine-1-carboxylate
CID 69057256
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445

Frequently Asked Questions

What is the IUPAC name of butyl 4-bromopiperidine-1-carboxylate?
The IUPAC name of butyl 4-bromopiperidine-1-carboxylate (CID 21219163) is butyl 4-bromopiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-bromopiperidine-1-carboxylate?
The canonical SMILES for butyl 4-bromopiperidine-1-carboxylate is CCCCOC(=O)N1CCC(Br)CC1.
What is the InChIKey of butyl 4-bromopiperidine-1-carboxylate?
The InChIKey is MIMCIWXSESZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-2-3-8-14-10(13)12-6-4-9(11)5-7-12/h9H,2-8H2,1H3.
What are the key properties of butyl 4-bromopiperidine-1-carboxylate?
butyl 4-bromopiperidine-1-carboxylate has a molecular weight of 264.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-bromopiperidine-1-carboxylate is sourced from PubChem (CID 21219163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).