ethyl 4-(4-chloropiperidin-1-yl)butanoate

C11H20ClNO2 — CID 71533979

IUPACethyl 4-(4-chloropiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(Cl)CC1
InChIInChI=1S/C11H20ClNO2/c1-2-15-11(14)4-3-7-13-8-5-10(12)6-9-13/h10H,2-9H2,1H3
InChIKeyIYULCFFWRKMPGV-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.03
Rot. Bonds5

About ethyl 4-(4-chloropiperidin-1-yl)butanoate

ethyl 4-(4-chloropiperidin-1-yl)butanoate (PubChem CID 71533979) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is ethyl 4-(4-chloropiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-chloropiperidin-1-yl)butanoate
PubChem CID71533979
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameethyl 4-(4-chloropiperidin-1-yl)butanoate
SMILESCCOC(=O)CCCN1CCC(Cl)CC1
InChIInChI=1S/C11H20ClNO2/c1-2-15-11(14)4-3-7-13-8-5-10(12)6-9-13/h10H,2-9H2,1H3
InChIKeyIYULCFFWRKMPGV-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.03
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

ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloropiperidin-1-yl)butanoate?
The IUPAC name of ethyl 4-(4-chloropiperidin-1-yl)butanoate (CID 71533979) is ethyl 4-(4-chloropiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-chloropiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(4-chloropiperidin-1-yl)butanoate is CCOC(=O)CCCN1CCC(Cl)CC1.
What is the InChIKey of ethyl 4-(4-chloropiperidin-1-yl)butanoate?
The InChIKey is IYULCFFWRKMPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-15-11(14)4-3-7-13-8-5-10(12)6-9-13/h10H,2-9H2,1H3.
What are the key properties of ethyl 4-(4-chloropiperidin-1-yl)butanoate?
ethyl 4-(4-chloropiperidin-1-yl)butanoate has a molecular weight of 233.74 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloropiperidin-1-yl)butanoate is sourced from PubChem (CID 71533979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).