tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine

C35H50N6O2 — CID 162101147

IUPACtert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.c1nc(N2CCNCC2)c(C2CC2)cc1C1CC1
InChIInChI=1S/C20H29N3O2.C15H21N3/c1-20(2,3)25-19(24)23-10-8-22(9-11-23)18-17(15-6-7-15)12-16(13-21-18)14-4-5-14;1-2-11(1)13-9-14(12-3-4-12)15(17-10-13)18-7-5-16-6-8-18/h12-15H,4-11H2,1-3H3;9-12,16H,1-8H2
InChIKeyZEXAATSHECBNCX-UHFFFAOYSA-N
MW586.83 g/mol
LogP6.14
Rot. Bonds6

About tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine

tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine (PubChem CID 162101147) has the molecular formula C35H50N6O2 and a molecular weight of 586.83 g/mol. Its IUPAC name is tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Nametert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine
PubChem CID162101147
Molecular FormulaC35H50N6O2
Molecular Weight586.83 g/mol
Exact Mass586.40
IUPAC Nametert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.c1nc(N2CCNCC2)c(C2CC2)cc1C1CC1
InChIInChI=1S/C20H29N3O2.C15H21N3/c1-20(2,3)25-19(24)23-10-8-22(9-11-23)18-17(15-6-7-15)12-16(13-21-18)14-4-5-14;1-2-11(1)13-9-14(12-3-4-12)15(17-10-13)18-7-5-16-6-8-18/h12-15H,4-11H2,1-3H3;9-12,16H,1-8H2
InChIKeyZEXAATSHECBNCX-UHFFFAOYSA-N
XLogP6.14
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.83
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 11,12-dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecane-4-carboxylate
CID 16748158
tert-butyl 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 11695402
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 135219469
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
CID 70861209

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine?
The IUPAC name of tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine (CID 162101147) is tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine.
What is the SMILES notation for tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine?
The canonical SMILES for tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine is CC(C)(C)OC(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.c1nc(N2CCNCC2)c(C2CC2)cc1C1CC1.
What is the InChIKey of tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine?
The InChIKey is ZEXAATSHECBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.C15H21N3/c1-20(2,3)25-19(24)23-10-8-22(9-11-23)18-17(15-6-7-15)12-16(13-21-18)14-4-5-14;1-2-11(1)13-9-14(12-3-4-12)15(17-10-13)18-7-5-16-6-8-18/h12-15H,4-11H2,1-3H3;9-12,16H,1-8H2.
What are the key properties of tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine?
tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine has a molecular weight of 586.83 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carboxylate;1-(3,5-dicyclopropyl-2-pyridinyl)piperazine is sourced from PubChem (CID 162101147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).