tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate

C20H37N3O2 — CID 18321084

IUPACtert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O2/c1-20(2,3)25-19(24)23-15-13-22(14-16-23)18-9-11-21(12-10-18)17-7-5-4-6-8-17/h17-18H,4-16H2,1-3H3
InChIKeyVNPREDCTFJTRIZ-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 18321084) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID18321084
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Nametert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O2/c1-20(2,3)25-19(24)23-15-13-22(14-16-23)18-9-11-21(12-10-18)17-7-5-4-6-8-17/h17-18H,4-16H2,1-3H3
InChIKeyVNPREDCTFJTRIZ-UHFFFAOYSA-N
XLogP3.34
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-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-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate (CID 18321084) is tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is VNPREDCTFJTRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-20(2,3)25-19(24)23-15-13-22(14-16-23)18-9-11-21(12-10-18)17-7-5-4-6-8-17/h17-18H,4-16H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 351.54 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cyclohexylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 18321084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).