3-bromo-1-(3-fluoropropyl)-4-methylpiperidine

C9H17BrFN — CID 102960408

IUPAC3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
SMILESCC1CCN(CCCF)CC1Br
InChIInChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-7H2,1H3
InChIKeyPVLHATLKMBVHIW-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.45
Rot. Bonds3

About 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine

3-bromo-1-(3-fluoropropyl)-4-methylpiperidine (PubChem CID 102960408) has the molecular formula C9H17BrFN and a molecular weight of 238.14 g/mol. Its IUPAC name is 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
PubChem CID102960408
Molecular FormulaC9H17BrFN
Molecular Weight238.14 g/mol
Exact Mass237.05
IUPAC Name3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
SMILESCC1CCN(CCCF)CC1Br
InChIInChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-7H2,1H3
InChIKeyPVLHATLKMBVHIW-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.45
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-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
7,7-dibromo-3-(3-fluoropropyl)-3-azabicyclo[4.1.0]heptane
CID 130708187
4-bromo-3-methyl-1-(4-methylpentyl)piperidine
CID 114682378
1-(3-fluoropropyl)-3-methyl-1,4-diazepane
CID 81113476
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-(2-fluoroethyl)-3-methylpiperidin-4-amine
CID 80695776
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylpiperidine
CID 114682409

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine?
The IUPAC name of 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine (CID 102960408) is 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine.
What is the SMILES notation for 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine?
The canonical SMILES for 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine is CC1CCN(CCCF)CC1Br.
What is the InChIKey of 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine?
The InChIKey is PVLHATLKMBVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)7-9(8)10/h8-9H,2-7H2,1H3.
What are the key properties of 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine?
3-bromo-1-(3-fluoropropyl)-4-methylpiperidine has a molecular weight of 238.14 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-fluoropropyl)-4-methylpiperidine is sourced from PubChem (CID 102960408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).