tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate

C21H25ClN2O2 — CID 71149847

IUPACtert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(c2ccncc2)(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C21H25ClN2O2/c1-20(2,3)26-19(25)18-14-21(10-13-24-18,16-8-11-23-12-9-16)15-4-6-17(22)7-5-15/h4-9,11-12,18,24H,10,13-14H2,1-3H3
InChIKeySCKRLUBVLIXCSI-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate

tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate (PubChem CID 71149847) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate
PubChem CID71149847
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Nametert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CC(c2ccncc2)(c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C21H25ClN2O2/c1-20(2,3)26-19(25)18-14-21(10-13-24-18,16-8-11-23-12-9-16)15-4-6-17(22)7-5-15/h4-9,11-12,18,24H,10,13-14H2,1-3H3
InChIKeySCKRLUBVLIXCSI-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate?
The IUPAC name of tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate (CID 71149847) is tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate is CC(C)(C)OC(=O)C1CC(c2ccncc2)(c2ccc(Cl)cc2)CCN1.
What is the InChIKey of tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate?
The InChIKey is SCKRLUBVLIXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-20(2,3)26-19(25)18-14-21(10-13-24-18,16-8-11-23-12-9-16)15-4-6-17(22)7-5-15/h4-9,11-12,18,24H,10,13-14H2,1-3H3.
What are the key properties of tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate?
tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate has a molecular weight of 372.90 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate is sourced from PubChem (CID 71149847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).