1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine

C13H22BrNO2 — CID 96979784

IUPAC1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
SMILESC=C(Br)CN1CCC(OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H22BrNO2/c1-11(14)9-15-6-4-12(5-7-15)17-10-13-3-2-8-16-13/h12-13H,1-10H2/t13-/m0/s1
InChIKeySCMKWXXDDFIFQU-ZDUSSCGKSA-N
MW304.23 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine

1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine (PubChem CID 96979784) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
PubChem CID96979784
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
SMILESC=C(Br)CN1CCC(OC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H22BrNO2/c1-11(14)9-15-6-4-12(5-7-15)17-10-13-3-2-8-16-13/h12-13H,1-10H2/t13-/m0/s1
InChIKeySCMKWXXDDFIFQU-ZDUSSCGKSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71859833
4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
CID 62806705
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
3-(oxolan-2-ylmethoxy)oxane
CID 71311379
3-(oxolan-2-ylmethoxy)cyclohexan-1-ol
CID 79618250
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The IUPAC name of 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine (CID 96979784) is 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine is C=C(Br)CN1CCC(OC[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
The InChIKey is SCMKWXXDDFIFQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-11(14)9-15-6-4-12(5-7-15)17-10-13-3-2-8-16-13/h12-13H,1-10H2/t13-/m0/s1.
What are the key properties of 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine?
1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine has a molecular weight of 304.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine is sourced from PubChem (CID 96979784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).