1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine

C15H30BrN — CID 65005316

IUPAC1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
SMILESCCCC(CBr)(CCC)CN1CCCC(C)C1
InChIInChI=1S/C15H30BrN/c1-4-8-15(12-16,9-5-2)13-17-10-6-7-14(3)11-17/h14H,4-13H2,1-3H3
InChIKeyONXHUIPWDYMNMS-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.70
Rot. Bonds7

About 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine

1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine (PubChem CID 65005316) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
PubChem CID65005316
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC Name1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
SMILESCCCC(CBr)(CCC)CN1CCCC(C)C1
InChIInChI=1S/C15H30BrN/c1-4-8-15(12-16,9-5-2)13-17-10-6-7-14(3)11-17/h14H,4-13H2,1-3H3
InChIKeyONXHUIPWDYMNMS-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.70
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

4-[2-(bromomethyl)-2-propylpentyl]-2-methyl-1,4-oxazepane
CID 65005180
2-[2-(bromomethyl)-2-propylpentyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 65005026
4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
CID 65005268
ethane;3-methyl-1-propylpiperidine
CID 156729460
1-[2-(bromomethyl)-2-propylpentyl]-4,4-dimethylazepane
CID 65283083
ethane;1-ethyl-3-methylpiperidine
CID 91361629
4-[2-(bromomethyl)-2-propylpentyl]-2-ethyl-1-methylpiperazine
CID 65005724
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-1-propylpiperidine;propane
CID 145147959
4-[2-(bromomethyl)-2-propylpentyl]morpholine-2-carbonitrile
CID 79681104
2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62262995
1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine (CID 65005316) is 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine is CCCC(CBr)(CCC)CN1CCCC(C)C1.
What is the InChIKey of 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine?
The InChIKey is ONXHUIPWDYMNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrN/c1-4-8-15(12-16,9-5-2)13-17-10-6-7-14(3)11-17/h14H,4-13H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine?
1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine has a molecular weight of 304.32 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine is sourced from PubChem (CID 65005316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).