azane;2-bromo-1-propylpiperidine

C8H19BrN2 — CID 174988574

IUPACazane;2-bromo-1-propylpiperidine
SMILESCCCN1CCCCC1Br.N
InChIInChI=1S/C8H16BrN.H3N/c1-2-6-10-7-4-3-5-8(10)9;/h8H,2-7H2,1H3;1H3
InChIKeyLAAAGAOGCVBCMK-UHFFFAOYSA-N
MW223.16 g/mol
LogP2.77
Rot. Bonds2

About azane;2-bromo-1-propylpiperidine

azane;2-bromo-1-propylpiperidine (PubChem CID 174988574) has the molecular formula C8H19BrN2 and a molecular weight of 223.16 g/mol. Its IUPAC name is azane;2-bromo-1-propylpiperidine.

Molecular Properties

Compound Nameazane;2-bromo-1-propylpiperidine
PubChem CID174988574
Molecular FormulaC8H19BrN2
Molecular Weight223.16 g/mol
Exact Mass222.07
IUPAC Nameazane;2-bromo-1-propylpiperidine
SMILESCCCN1CCCCC1Br.N
InChIInChI=1S/C8H16BrN.H3N/c1-2-6-10-7-4-3-5-8(10)9;/h8H,2-7H2,1H3;1H3
InChIKeyLAAAGAOGCVBCMK-UHFFFAOYSA-N
XLogP2.77
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-1-propylpiperidine
CID 13181247
2-ethyl-5-methyl-1-propyl-azacycloundecane
CID 123350465
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
2-(bromomethyl)-1-heptylpiperidine
CID 80673779

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-1-propylpiperidine?
The IUPAC name of azane;2-bromo-1-propylpiperidine (CID 174988574) is azane;2-bromo-1-propylpiperidine.
What is the SMILES notation for azane;2-bromo-1-propylpiperidine?
The canonical SMILES for azane;2-bromo-1-propylpiperidine is CCCN1CCCCC1Br.N.
What is the InChIKey of azane;2-bromo-1-propylpiperidine?
The InChIKey is LAAAGAOGCVBCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN.H3N/c1-2-6-10-7-4-3-5-8(10)9;/h8H,2-7H2,1H3;1H3.
What are the key properties of azane;2-bromo-1-propylpiperidine?
azane;2-bromo-1-propylpiperidine has a molecular weight of 223.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-1-propylpiperidine is sourced from PubChem (CID 174988574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).