tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate

C18H35N3O3 — CID 66999459

IUPACtert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
SMILESCC1C(O)N(CCCN2CCCCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-15-16(22)20(12-8-11-19-9-6-5-7-10-19)13-14-21(15)17(23)24-18(2,3)4/h15-16,22H,5-14H2,1-4H3
InChIKeyADXKOHFZIPGDAP-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate

tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate (PubChem CID 66999459) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
PubChem CID66999459
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
SMILESCC1C(O)N(CCCN2CCCCC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-15-16(22)20(12-8-11-19-9-6-5-7-10-19)13-14-21(15)17(23)24-18(2,3)4/h15-16,22H,5-14H2,1-4H3
InChIKeyADXKOHFZIPGDAP-UHFFFAOYSA-N
XLogP2.12
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)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 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate (CID 66999459) is tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate is CC1C(O)N(CCCN2CCCCC2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate?
The InChIKey is ADXKOHFZIPGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-15-16(22)20(12-8-11-19-9-6-5-7-10-19)13-14-21(15)17(23)24-18(2,3)4/h15-16,22H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate?
tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate has a molecular weight of 341.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2-methyl-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 66999459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).