tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate

C18H26ClNO3 — CID 103915969

IUPACtert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO3/c1-17(2,3)23-16(21)20-11-9-18(4,10-12-20)22-13-14-5-7-15(19)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyNGPNOUPRGOFWAR-UHFFFAOYSA-N
MW339.86 g/mol
LogP4.65
Rot. Bonds3

About tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate (PubChem CID 103915969) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate
PubChem CID103915969
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClNO3/c1-17(2,3)23-16(21)20-11-9-18(4,10-12-20)22-13-14-5-7-15(19)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyNGPNOUPRGOFWAR-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate (CID 103915969) is tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(OCc2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate?
The InChIKey is NGPNOUPRGOFWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-17(2,3)23-16(21)20-11-9-18(4,10-12-20)22-13-14-5-7-15(19)8-6-14/h5-8H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate has a molecular weight of 339.86 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 103915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).