tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate

C10H16ClNO3 — CID 11195663

IUPACtert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@H](Cl)C1
InChIInChI=1S/C10H16ClNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyFXESQZCEOYWZJH-SSDOTTSWSA-N
MW233.69 g/mol
LogP1.80
Rot. Bonds

About tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate (PubChem CID 11195663) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate
PubChem CID11195663
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Nametert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)[C@H](Cl)C1
InChIInChI=1S/C10H16ClNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyFXESQZCEOYWZJH-SSDOTTSWSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-piperidine-1-carboxylic acid tert-butyl ester
CID 11138624
Tert-butyl 4-(2-chloroacetyl)piperidine-1-carboxylate
CID 24229336
tert-Butyl 3-chloropiperidine-1-carboxylate
CID 53346610
Tert-butyl 4-(2-chloroacetyl)-4-fluoropiperidine-1-carboxylate
CID 86641103
3-Chloro-1-ethoxycarbonylpiperidin-4-one
CID 13226155
Tert-butyl 3-chloro-4-oxopiperidine-1-carboxylate
CID 51051615
tert-Butyl 2-(chloromethyl)piperidine-1-carboxylate
CID 53346639
Tert-butyl 3-(2-chloroacetyl)piperidine-1-carboxylate
CID 57752771
(S)-3-Chloro-piperidine-1-carboxylic acid tert-butyl ester
CID 66569068
Tert-butyl 4-(2-chloroacetyl)-4-methylpiperidine-1-carboxylate
CID 86641102
Tert-butyl 3,3-dichloro-4-oxopiperidine-1-carboxylate
CID 123354473
Tert-butyl 4-acetyl-2-chloropiperidine-1-carboxylate
CID 168869330

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate (CID 11195663) is tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cl)C1.
What is the InChIKey of tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate?
The InChIKey is FXESQZCEOYWZJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate has a molecular weight of 233.69 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-chloro-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 11195663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).