1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol

C11H20BrNO — CID 114338272

IUPAC1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESC=C(Br)CN1CCCCC1CC(C)O
InChIInChI=1S/C11H20BrNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3
InChIKeyGMKBWLLXSIAOJC-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.52
Rot. Bonds4

About 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol

1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol (PubChem CID 114338272) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
PubChem CID114338272
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
SMILESC=C(Br)CN1CCCCC1CC(C)O
InChIInChI=1S/C11H20BrNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3
InChIKeyGMKBWLLXSIAOJC-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(2R)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321469
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methylpropan-2-ol
CID 114338998

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol (CID 114338272) is 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol is C=C(Br)CN1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol?
The InChIKey is GMKBWLLXSIAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-9(12)8-13-6-4-3-5-11(13)7-10(2)14/h10-11,14H,1,3-8H2,2H3.
What are the key properties of 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol?
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol has a molecular weight of 262.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).