(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol

C10H18BrNO — CID 95321467

IUPAC(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Br)CN1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C10H18BrNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m1/s1
InChIKeyWFRBMWGCVNAFEP-ZJUUUORDSA-N
MW248.16 g/mol
LogP2.13
Rot. Bonds3

About (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol

(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol (PubChem CID 95321467) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
PubChem CID95321467
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
SMILESC=C(Br)CN1CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C10H18BrNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m1/s1
InChIKeyWFRBMWGCVNAFEP-ZJUUUORDSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol (CID 95321467) is (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol is C=C(Br)CN1CCCC[C@H]1[C@@H](C)O.
What is the InChIKey of (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
The InChIKey is WFRBMWGCVNAFEP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(11)7-12-6-4-3-5-10(12)9(2)13/h9-10,13H,1,3-7H2,2H3/t9-,10+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol?
(1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol has a molecular weight of 248.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 95321467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).