4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C18H29N3 — CID 134338528

IUPAC4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCNc2ccc(CN3CCNCC3)cc21
InChIInChI=1S/C18H29N3/c1-18(2,3)16-6-7-20-17-5-4-14(12-15(16)17)13-21-10-8-19-9-11-21/h4-5,12,16,19-20H,6-11,13H2,1-3H3
InChIKeyXAYKKLATHUAGCT-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.04
Rot. Bonds2

About 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 134338528) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID134338528
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCNc2ccc(CN3CCNCC3)cc21
InChIInChI=1S/C18H29N3/c1-18(2,3)16-6-7-20-17-5-4-14(12-15(16)17)13-21-10-8-19-9-11-21/h4-5,12,16,19-20H,6-11,13H2,1-3H3
InChIKeyXAYKKLATHUAGCT-UHFFFAOYSA-N
XLogP3.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-3,5-dimethylphenol
CID 134338555
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
4-tert-butyl-6-phenoxy-1,2,3,4-tetrahydroquinoline
CID 134338695
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
3-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203387
3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
CID 117380176
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 134338528) is 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCNc2ccc(CN3CCNCC3)cc21.
What is the InChIKey of 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is XAYKKLATHUAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,3)16-6-7-20-17-5-4-14(12-15(16)17)13-21-10-8-19-9-11-21/h4-5,12,16,19-20H,6-11,13H2,1-3H3.
What are the key properties of 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 287.45 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 134338528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).