1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine

C17H34BrN — CID 114594789

IUPAC1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
SMILESCCCC(CBr)(CCC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C17H34BrN/c1-6-8-17(12-18,9-7-2)13-19-11-14(3)10-15(4)16(19)5/h14-16H,6-13H2,1-5H3
InChIKeySNPCMCNVEAGPPY-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.33
Rot. Bonds7

About 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine

1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine (PubChem CID 114594789) has the molecular formula C17H34BrN and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
PubChem CID114594789
Molecular FormulaC17H34BrN
Molecular Weight332.37 g/mol
Exact Mass331.19
IUPAC Name1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
SMILESCCCC(CBr)(CCC)CN1CC(C)CC(C)C1C
InChIInChI=1S/C17H34BrN/c1-6-8-17(12-18,9-7-2)13-19-11-14(3)10-15(4)16(19)5/h14-16H,6-13H2,1-5H3
InChIKeySNPCMCNVEAGPPY-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.33
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

1-(1-Bromo-5-methylhexan-3-yl)piperidine
CID 20135844
3-(3-Bromopropyl)-1-methylpiperidine
CID 20662449
4-(4-Bromobutyl)-1-methylpiperidine
CID 23033956
1,4-Ditert-butyl-2,3,5,6-tetramethylpiperidine
CID 58772476
2,3,4,5,6-Pentamethyl-1,4-di(propan-2-yl)piperidine
CID 59233613
(3S)-3-(3-bromopropyl)-1-methylpiperidine
CID 59958648
(3R)-3-(3-bromopropyl)-1-methylpiperidine
CID 59958661
1-(6-Bromo-2-methyldodecan-4-yl)piperidine
CID 70540385
12-bromo-N-methyl-N-[6-(1-methylpiperidin-4-yl)-3-propylhexyl]dodecan-1-amine
CID 132238904
4-Tert-butyl-1-tetradecan-7-ylpiperidine
CID 134458253
3-(10-Bromodecyl)-1-methylpiperidine
CID 150764926
5-Bromo-1,2,3,4-tetramethylpiperidine
CID 156510610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine?
The IUPAC name of 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine (CID 114594789) is 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine is CCCC(CBr)(CCC)CN1CC(C)CC(C)C1C.
What is the InChIKey of 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine?
The InChIKey is SNPCMCNVEAGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34BrN/c1-6-8-17(12-18,9-7-2)13-19-11-14(3)10-15(4)16(19)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine?
1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine has a molecular weight of 332.37 g/mol, XLogP of 5.33, 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]-2,3,5-trimethylpiperidine is sourced from PubChem (CID 114594789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).