3-bromopropyl 4-methylpiperidine-1-carboxylate

C10H18BrNO2 — CID 103970714

IUPAC3-bromopropyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OCCCBr)CC1
InChIInChI=1S/C10H18BrNO2/c1-9-3-6-12(7-4-9)10(13)14-8-2-5-11/h9H,2-8H2,1H3
InChIKeyMHUXFBGQQQKWPR-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.64
Rot. Bonds3

About 3-bromopropyl 4-methylpiperidine-1-carboxylate

3-bromopropyl 4-methylpiperidine-1-carboxylate (PubChem CID 103970714) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 3-bromopropyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name3-bromopropyl 4-methylpiperidine-1-carboxylate
PubChem CID103970714
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name3-bromopropyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OCCCBr)CC1
InChIInChI=1S/C10H18BrNO2/c1-9-3-6-12(7-4-9)10(13)14-8-2-5-11/h9H,2-8H2,1H3
InChIKeyMHUXFBGQQQKWPR-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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

but-3-ynyl 4-methylpiperidine-1-carboxylate
CID 89002890
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
CID 79337921
5-bromopentyl piperidine-1-carboxylate
CID 103970657
methane;3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl 4-methylpiperidine-1-carboxylate
CID 162122110
2-bromoethyl 3-methylpiperidine-1-carboxylate
CID 103970529
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
sulfanyl 4-methylpiperidine-1-carboxylate
CID 89011806
butyl aziridine-1-carboxylate
CID 12641
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
4-bromobutyl 4-methylcyclohexane-1-carboxylate
CID 143676198

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl 4-methylpiperidine-1-carboxylate?
The IUPAC name of 3-bromopropyl 4-methylpiperidine-1-carboxylate (CID 103970714) is 3-bromopropyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 3-bromopropyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for 3-bromopropyl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OCCCBr)CC1.
What is the InChIKey of 3-bromopropyl 4-methylpiperidine-1-carboxylate?
The InChIKey is MHUXFBGQQQKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-9-3-6-12(7-4-9)10(13)14-8-2-5-11/h9H,2-8H2,1H3.
What are the key properties of 3-bromopropyl 4-methylpiperidine-1-carboxylate?
3-bromopropyl 4-methylpiperidine-1-carboxylate has a molecular weight of 264.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 103970714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).