tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate

C22H34N2O2 — CID 24958872

IUPACtert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-17-5-7-20(8-6-17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3
InChIKeyVJSRKELPFTVDAV-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24958872) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24958872
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Nametert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-17-5-7-20(8-6-17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3
InChIKeyVJSRKELPFTVDAV-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-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-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate (CID 24958872) is tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate is Cc1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is VJSRKELPFTVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17-5-7-20(8-6-17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 358.53 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24958872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).