(3S)-3-(2-bromoprop-2-enoxy)piperidine

C8H14BrNO — CID 66247193

IUPAC(3S)-3-(2-bromoprop-2-enoxy)piperidine
SMILESC=C(Br)CO[C@H]1CCCNC1
InChIInChI=1S/C8H14BrNO/c1-7(9)6-11-8-3-2-4-10-5-8/h8,10H,1-6H2/t8-/m0/s1
InChIKeyNPYMUOLFYOMBIQ-QMMMGPOBSA-N
MW220.11 g/mol
LogP1.66
Rot. Bonds3

About (3S)-3-(2-bromoprop-2-enoxy)piperidine

(3S)-3-(2-bromoprop-2-enoxy)piperidine (PubChem CID 66247193) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is (3S)-3-(2-bromoprop-2-enoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-bromoprop-2-enoxy)piperidine
PubChem CID66247193
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name(3S)-3-(2-bromoprop-2-enoxy)piperidine
SMILESC=C(Br)CO[C@H]1CCCNC1
InChIInChI=1S/C8H14BrNO/c1-7(9)6-11-8-3-2-4-10-5-8/h8,10H,1-6H2/t8-/m0/s1
InChIKeyNPYMUOLFYOMBIQ-QMMMGPOBSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-bromoprop-2-enoxy)piperidine?
The IUPAC name of (3S)-3-(2-bromoprop-2-enoxy)piperidine (CID 66247193) is (3S)-3-(2-bromoprop-2-enoxy)piperidine.
What is the SMILES notation for (3S)-3-(2-bromoprop-2-enoxy)piperidine?
The canonical SMILES for (3S)-3-(2-bromoprop-2-enoxy)piperidine is C=C(Br)CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-bromoprop-2-enoxy)piperidine?
The InChIKey is NPYMUOLFYOMBIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-7(9)6-11-8-3-2-4-10-5-8/h8,10H,1-6H2/t8-/m0/s1.
What are the key properties of (3S)-3-(2-bromoprop-2-enoxy)piperidine?
(3S)-3-(2-bromoprop-2-enoxy)piperidine has a molecular weight of 220.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-bromoprop-2-enoxy)piperidine is sourced from PubChem (CID 66247193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).