tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride

C14H29Cl2N3O2 — CID 68579096

IUPACtert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;;/h12,15H,4-11H2,1-3H3;2*1H
InChIKeyPXPCBHRRFNJKCY-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride

tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride (PubChem CID 68579096) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
PubChem CID68579096
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Nametert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;;/h12,15H,4-11H2,1-3H3;2*1H
InChIKeyPXPCBHRRFNJKCY-UHFFFAOYSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl 4-(7,7-dideuterio-1,4-diazepan-1-yl)piperidine-1-carboxylate
CID 118887212
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
tert-butyl 4-(4-hydroxy-4-methylpiperidin-1-yl)piperidine-1-carboxylate
CID 67298757
tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride?
The IUPAC name of tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride (CID 68579096) is tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride.
What is the SMILES notation for tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride?
The canonical SMILES for tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride is CC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride?
The InChIKey is PXPCBHRRFNJKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-14(2,3)19-13(18)17-8-4-12(5-9-17)16-10-6-15-7-11-16;;/h12,15H,4-11H2,1-3H3;2*1H.
What are the key properties of tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride?
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 68579096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).