tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate

C19H29N3O2 — CID 69420021

IUPACtert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
SMILESCN1CCCc2c1cccc2N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-11-21(12-14-22)17-9-5-8-16-15(17)7-6-10-20(16)4/h5,8-9H,6-7,10-14H2,1-4H3
InChIKeyWCNJXIZXXZEQSY-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate

tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate (PubChem CID 69420021) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
PubChem CID69420021
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
SMILESCN1CCCc2c1cccc2N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-11-21(12-14-22)17-9-5-8-16-15(17)7-6-10-20(16)4/h5,8-9H,6-7,10-14H2,1-4H3
InChIKeyWCNJXIZXXZEQSY-UHFFFAOYSA-N
XLogP3.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21070954
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tert-butyl 4-(3,4-dihydroisoquinolin-5-yl)piperazine-1-carboxylate
CID 89499905
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CID 114518325
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
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CID 66765352
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CID 170163901
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazine-1-carboxylate
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tert-butyl 4-(3-pyrrolidin-1-ylphenyl)-1,4-diazepane-1-carboxylate
CID 163229877
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate (CID 69420021) is tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate is CN1CCCc2c1cccc2N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate?
The InChIKey is WCNJXIZXXZEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-13-11-21(12-14-22)17-9-5-8-16-15(17)7-6-10-20(16)4/h5,8-9H,6-7,10-14H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 69420021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).