ethyl (2R)-1-chloropiperidine-2-carboxylate

C8H14ClNO2 — CID 124514605

IUPACethyl (2R)-1-chloropiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cl
InChIInChI=1S/C8H14ClNO2/c1-2-12-8(11)7-5-3-4-6-10(7)9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYCHFMJLNLHDARE-SSDOTTSWSA-N
MW191.66 g/mol
LogP1.56
Rot. Bonds2

About ethyl (2R)-1-chloropiperidine-2-carboxylate

ethyl (2R)-1-chloropiperidine-2-carboxylate (PubChem CID 124514605) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is ethyl (2R)-1-chloropiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-chloropiperidine-2-carboxylate
PubChem CID124514605
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Nameethyl (2R)-1-chloropiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cl
InChIInChI=1S/C8H14ClNO2/c1-2-12-8(11)7-5-3-4-6-10(7)9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyYCHFMJLNLHDARE-SSDOTTSWSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-chloropiperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-chloropiperidine-2-carboxylate (CID 124514605) is ethyl (2R)-1-chloropiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-chloropiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-chloropiperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1Cl.
What is the InChIKey of ethyl (2R)-1-chloropiperidine-2-carboxylate?
The InChIKey is YCHFMJLNLHDARE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-12-8(11)7-5-3-4-6-10(7)9/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-1-chloropiperidine-2-carboxylate?
ethyl (2R)-1-chloropiperidine-2-carboxylate has a molecular weight of 191.66 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-chloropiperidine-2-carboxylate is sourced from PubChem (CID 124514605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).