1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol

C9H19BrNOP — CID 145204420

IUPAC1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol
SMILESCPN1CCCC[C@H]1CC(O)CBr
InChIInChI=1S/C9H19BrNOP/c1-13-11-5-3-2-4-8(11)6-9(12)7-10/h8-9,12-13H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyGYJQYOSVKYWNQS-IENPIDJESA-N
MW268.13 g/mol
LogP2.21
Rot. Bonds4

About 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol

1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol (PubChem CID 145204420) has the molecular formula C9H19BrNOP and a molecular weight of 268.13 g/mol. Its IUPAC name is 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol
PubChem CID145204420
Molecular FormulaC9H19BrNOP
Molecular Weight268.13 g/mol
Exact Mass267.04
IUPAC Name1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol
SMILESCPN1CCCC[C@H]1CC(O)CBr
InChIInChI=1S/C9H19BrNOP/c1-13-11-5-3-2-4-8(11)6-9(12)7-10/h8-9,12-13H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyGYJQYOSVKYWNQS-IENPIDJESA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-oxidopiperidin-2-yl)butan-2-ol
CID 101410905
(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
CID 142317689
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-(3-bromo-2-hydroxypropyl)-3-methylpiperidin-4-ol
CID 114681046
2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-ethylpiperidine
CID 65015932
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol?
The IUPAC name of 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol (CID 145204420) is 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol is CPN1CCCC[C@H]1CC(O)CBr.
What is the InChIKey of 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol?
The InChIKey is GYJQYOSVKYWNQS-IENPIDJESA-N. The full InChI is InChI=1S/C9H19BrNOP/c1-13-11-5-3-2-4-8(11)6-9(12)7-10/h8-9,12-13H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol?
1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol has a molecular weight of 268.13 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2S)-1-methylphosphanylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 145204420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).