tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate

C16H22ClNO2 — CID 27281794

IUPACtert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyODNDRHCDSBWGGD-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.45
Rot. Bonds1

About tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate

tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate (PubChem CID 27281794) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
PubChem CID27281794
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Nametert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyODNDRHCDSBWGGD-UHFFFAOYSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate (CID 27281794) is tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The InChIKey is ODNDRHCDSBWGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate has a molecular weight of 295.81 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 27281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).