(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol

C8H14ClNO2 — CID 131231907

IUPAC(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
SMILESO[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O
InChIInChI=1S/C8H14ClNO2/c9-3-1-4-10-5-2-7(11)8(12)6-10/h1,3,7-8,11-12H,2,4-6H2/b3-1+/t7-,8+/m1/s1
InChIKeyUHZMDDDUVZMOLE-CWGGMDLJSA-N
MW191.66 g/mol
LogP0.17
Rot. Bonds2

About (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol

(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol (PubChem CID 131231907) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
PubChem CID131231907
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
SMILESO[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O
InChIInChI=1S/C8H14ClNO2/c9-3-1-4-10-5-2-7(11)8(12)6-10/h1,3,7-8,11-12H,2,4-6H2/b3-1+/t7-,8+/m1/s1
InChIKeyUHZMDDDUVZMOLE-CWGGMDLJSA-N
XLogP0.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
CID 114511079
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536
4-chloro-1-[(E)-3-chloroprop-2-enyl]piperidine
CID 107900967
[1-[(E)-3-chloroprop-2-enyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134055065
5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
CID 131232063
1-[(E)-3-chloroprop-2-enyl]-4,4-dimethylpyrrolidin-3-ol
CID 131235029
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]ethanamine
CID 131248662
4-[(E)-3-chloroprop-2-enyl]-7-methyl-1,4-thiazepane
CID 131245452
1-pentylpiperidine-3,4-diol
CID 69410100

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol (CID 131231907) is (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol is O[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol?
The InChIKey is UHZMDDDUVZMOLE-CWGGMDLJSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-3-1-4-10-5-2-7(11)8(12)6-10/h1,3,7-8,11-12H,2,4-6H2/b3-1+/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol?
(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol has a molecular weight of 191.66 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol is sourced from PubChem (CID 131231907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).