(3R)-3-(3-bromopropyl)-1-methylpiperidine

C9H18BrN — CID 59958661

IUPAC(3R)-3-(3-bromopropyl)-1-methylpiperidine
SMILESCN1CCC[C@H](CCCBr)C1
InChIInChI=1S/C9H18BrN/c1-11-7-3-5-9(8-11)4-2-6-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyYXABDQGTWXXLBD-VIFPVBQESA-N
MW220.15 g/mol
LogP2.50
Rot. Bonds3

About (3R)-3-(3-bromopropyl)-1-methylpiperidine

(3R)-3-(3-bromopropyl)-1-methylpiperidine (PubChem CID 59958661) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is (3R)-3-(3-bromopropyl)-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-(3-bromopropyl)-1-methylpiperidine
PubChem CID59958661
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name(3R)-3-(3-bromopropyl)-1-methylpiperidine
SMILESCN1CCC[C@H](CCCBr)C1
InChIInChI=1S/C9H18BrN/c1-11-7-3-5-9(8-11)4-2-6-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyYXABDQGTWXXLBD-VIFPVBQESA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromopropyl)-1-methylpiperidine?
The IUPAC name of (3R)-3-(3-bromopropyl)-1-methylpiperidine (CID 59958661) is (3R)-3-(3-bromopropyl)-1-methylpiperidine.
What is the SMILES notation for (3R)-3-(3-bromopropyl)-1-methylpiperidine?
The canonical SMILES for (3R)-3-(3-bromopropyl)-1-methylpiperidine is CN1CCC[C@H](CCCBr)C1.
What is the InChIKey of (3R)-3-(3-bromopropyl)-1-methylpiperidine?
The InChIKey is YXABDQGTWXXLBD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18BrN/c1-11-7-3-5-9(8-11)4-2-6-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-(3-bromopropyl)-1-methylpiperidine?
(3R)-3-(3-bromopropyl)-1-methylpiperidine has a molecular weight of 220.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromopropyl)-1-methylpiperidine is sourced from PubChem (CID 59958661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).