1-(3-bromo-2-methylpropyl)piperidine;hydrobromide

C9H19Br2N — CID 139026359

IUPAC1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
SMILESBr.CC(CBr)CN1CCCCC1
InChIInChI=1S/C9H18BrN.BrH/c1-9(7-10)8-11-5-3-2-4-6-11;/h9H,2-8H2,1H3;1H
InChIKeyUECWNENNPNQZBS-UHFFFAOYSA-N
MW301.07 g/mol
LogP3.08
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide

1-(3-bromo-2-methylpropyl)piperidine;hydrobromide (PubChem CID 139026359) has the molecular formula C9H19Br2N and a molecular weight of 301.07 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
PubChem CID139026359
Molecular FormulaC9H19Br2N
Molecular Weight301.07 g/mol
Exact Mass298.99
IUPAC Name1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
SMILESBr.CC(CBr)CN1CCCCC1
InChIInChI=1S/C9H18BrN.BrH/c1-9(7-10)8-11-5-3-2-4-6-11;/h9H,2-8H2,1H3;1H
InChIKeyUECWNENNPNQZBS-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
1-[2-(bromomethyl)-4-methylpentyl]piperidine;hydrobromide
CID 71320329
4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
CID 64996346
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-[4-(3-bromo-2-methylpropyl)piperazin-1-yl]ethanone
CID 64996028
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
4-methyl-5-piperidin-1-ylpentanal
CID 142529558
1-(2-methyl-3-piperidin-1-ylpropyl)cyclopropan-1-amine
CID 115020867
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide?
The IUPAC name of 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide (CID 139026359) is 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide is Br.CC(CBr)CN1CCCCC1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide?
The InChIKey is UECWNENNPNQZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN.BrH/c1-9(7-10)8-11-5-3-2-4-6-11;/h9H,2-8H2,1H3;1H.
What are the key properties of 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide?
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide has a molecular weight of 301.07 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)piperidine;hydrobromide is sourced from PubChem (CID 139026359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).