tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride

C15H28ClN3O3 — CID 139026785

IUPACtert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-15(2,3)21-14(20)18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12;/h12,16H,4-11H2,1-3H3;1H
InChIKeyKGXXHOJFZMDHQA-UHFFFAOYSA-N
MW333.86 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride

tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 139026785) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride
PubChem CID139026785
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Nametert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-15(2,3)21-14(20)18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12;/h12,16H,4-11H2,1-3H3;1H
InChIKeyKGXXHOJFZMDHQA-UHFFFAOYSA-N
XLogP1.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride 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-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride (CID 139026785) is tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN(C(=O)C2CCNCC2)CC1.Cl.
What is the InChIKey of tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is KGXXHOJFZMDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-15(2,3)21-14(20)18-10-8-17(9-11-18)13(19)12-4-6-16-7-5-12;/h12,16H,4-11H2,1-3H3;1H.
What are the key properties of tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride?
tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 139026785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).