ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate

C19H26ClNO2 — CID 23723386

IUPACethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCC2)CC1
InChIInChI=1S/C19H26ClNO2/c1-2-23-18(22)19(14-15-6-8-16(20)9-7-15)10-12-21(13-11-19)17-4-3-5-17/h6-9,17H,2-5,10-14H2,1H3
InChIKeyNCHHLKIAKLCZOJ-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.08
Rot. Bonds5

About ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate

ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate (PubChem CID 23723386) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate
PubChem CID23723386
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Nameethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCC2)CC1
InChIInChI=1S/C19H26ClNO2/c1-2-23-18(22)19(14-15-6-8-16(20)9-7-15)10-12-21(13-11-19)17-4-3-5-17/h6-9,17H,2-5,10-14H2,1H3
InChIKeyNCHHLKIAKLCZOJ-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate (CID 23723386) is ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate is CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C2CCC2)CC1.
What is the InChIKey of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate?
The InChIKey is NCHHLKIAKLCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-2-23-18(22)19(14-15-6-8-16(20)9-7-15)10-12-21(13-11-19)17-4-3-5-17/h6-9,17H,2-5,10-14H2,1H3.
What are the key properties of ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate?
ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate has a molecular weight of 335.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-chlorophenyl)methyl]-1-cyclobutylpiperidine-4-carboxylate is sourced from PubChem (CID 23723386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).