tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane

C19H30N4O2 — CID 142622902

IUPACtert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cn1ncc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C17H24N4O2.C2H6/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-5-13-12-18-19(4)15(13)11-14;1-2/h5-6,11-12H,7-10H2,1-4H3;1-2H3
InChIKeyHJEOKRKLNJKYBZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.66
Rot. Bonds1

About tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane

tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane (PubChem CID 142622902) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
PubChem CID142622902
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nametert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cn1ncc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C17H24N4O2.C2H6/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-5-13-12-18-19(4)15(13)11-14;1-2/h5-6,11-12H,7-10H2,1-4H3;1-2H3
InChIKeyHJEOKRKLNJKYBZ-UHFFFAOYSA-N
XLogP3.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
CID 59781293
1-methyl-6-pyrrolidin-1-ylindazole
CID 123532355
1-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indole-2-carboxylic acid
CID 83972205
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-[4-(4-methylpyrazol-1-yl)phenyl]piperazine-1-carboxylate
CID 138498080
tert-butyl 4-[3-amino-4-(aminomethyl)phenyl]piperazine-1-carboxylate
CID 131732196
tert-butyl 4-(2-methyl-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 20785686
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl 4-(2,3-dihydro-1H-isoindol-5-yl)piperazine-1-carboxylate
CID 146454443

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane (CID 142622902) is tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane is CC.Cn1ncc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc21.
What is the InChIKey of tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane?
The InChIKey is HJEOKRKLNJKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C2H6/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-5-13-12-18-19(4)15(13)11-14;1-2/h5-6,11-12H,7-10H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane has a molecular weight of 346.48 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 142622902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).