5-bromopentyl piperidine-1-carboxylate

C11H20BrNO2 — CID 103970657

IUPAC5-bromopentyl piperidine-1-carboxylate
SMILESO=C(OCCCCCBr)N1CCCCC1
InChIInChI=1S/C11H20BrNO2/c12-7-3-1-6-10-15-11(14)13-8-4-2-5-9-13/h1-10H2
InChIKeyZYJUJFHEDWDTSU-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.17
Rot. Bonds5

About 5-bromopentyl piperidine-1-carboxylate

5-bromopentyl piperidine-1-carboxylate (PubChem CID 103970657) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 5-bromopentyl piperidine-1-carboxylate.

Molecular Properties

Compound Name5-bromopentyl piperidine-1-carboxylate
PubChem CID103970657
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name5-bromopentyl piperidine-1-carboxylate
SMILESO=C(OCCCCCBr)N1CCCCC1
InChIInChI=1S/C11H20BrNO2/c12-7-3-1-6-10-15-11(14)13-8-4-2-5-9-13/h1-10H2
InChIKeyZYJUJFHEDWDTSU-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.17
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

5-chloropentyl azepane-1-carboxylate
CID 103970757
5-chloropentyl pyrrolidine-1-carboxylate
CID 103970759
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
3-chloropropyl pyrrolidine-1-carboxylate
CID 103970586
2-aminoethyl piperidine-1-carboxylate
CID 58684414
propyl azepane-1-carboxylate
CID 91585333
3-bromopropyl 4-methylpiperidine-1-carboxylate
CID 103970714
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
ethyl azacycloundecane-1-carboxylate
CID 67670496
fluoromethyl piperidine-1-carboxylate
CID 141168732
2-(2-chloroethoxy)ethyl azepane-1-carboxylate
CID 103970627

Frequently Asked Questions

What is the IUPAC name of 5-bromopentyl piperidine-1-carboxylate?
The IUPAC name of 5-bromopentyl piperidine-1-carboxylate (CID 103970657) is 5-bromopentyl piperidine-1-carboxylate.
What is the SMILES notation for 5-bromopentyl piperidine-1-carboxylate?
The canonical SMILES for 5-bromopentyl piperidine-1-carboxylate is O=C(OCCCCCBr)N1CCCCC1.
What is the InChIKey of 5-bromopentyl piperidine-1-carboxylate?
The InChIKey is ZYJUJFHEDWDTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c12-7-3-1-6-10-15-11(14)13-8-4-2-5-9-13/h1-10H2.
What are the key properties of 5-bromopentyl piperidine-1-carboxylate?
5-bromopentyl piperidine-1-carboxylate has a molecular weight of 278.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentyl piperidine-1-carboxylate is sourced from PubChem (CID 103970657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).