2-(bromomethyl)-1-heptylpiperidine

C13H26BrN — CID 80673779

IUPAC2-(bromomethyl)-1-heptylpiperidine
SMILESCCCCCCCN1CCCCC1CBr
InChIInChI=1S/C13H26BrN/c1-2-3-4-5-7-10-15-11-8-6-9-13(15)12-14/h13H,2-12H2,1H3
InChIKeyWMPRIMDTQLNMES-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.21
Rot. Bonds7

About 2-(bromomethyl)-1-heptylpiperidine

2-(bromomethyl)-1-heptylpiperidine (PubChem CID 80673779) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(bromomethyl)-1-heptylpiperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-heptylpiperidine
PubChem CID80673779
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC Name2-(bromomethyl)-1-heptylpiperidine
SMILESCCCCCCCN1CCCCC1CBr
InChIInChI=1S/C13H26BrN/c1-2-3-4-5-7-10-15-11-8-6-9-13(15)12-14/h13H,2-12H2,1H3
InChIKeyWMPRIMDTQLNMES-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-dodecyl-2-ethylpiperidine
CID 171569899
2-butyl-1-hexylpiperidine
CID 171569565
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
1-pentyl-2-propylpiperidine
CID 54429991
(1-dodecylazepan-2-yl)methanamine
CID 116640397
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-heptylpiperidine?
The IUPAC name of 2-(bromomethyl)-1-heptylpiperidine (CID 80673779) is 2-(bromomethyl)-1-heptylpiperidine.
What is the SMILES notation for 2-(bromomethyl)-1-heptylpiperidine?
The canonical SMILES for 2-(bromomethyl)-1-heptylpiperidine is CCCCCCCN1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-heptylpiperidine?
The InChIKey is WMPRIMDTQLNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-2-3-4-5-7-10-15-11-8-6-9-13(15)12-14/h13H,2-12H2,1H3.
What are the key properties of 2-(bromomethyl)-1-heptylpiperidine?
2-(bromomethyl)-1-heptylpiperidine has a molecular weight of 276.26 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-heptylpiperidine is sourced from PubChem (CID 80673779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).