6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C18H27N3 — CID 91200429

IUPAC6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1CN1CCN(C3CCC3)CC1)CCNC2
InChIInChI=1S/C18H27N3/c1-2-18(3-1)21-10-8-20(9-11-21)14-15-4-5-17-13-19-7-6-16(17)12-15/h4-5,12,18-19H,1-3,6-11,13-14H2
InChIKeyMRZKMKNAYYMXGF-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.00
Rot. Bonds3

About 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 91200429) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID91200429
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(cc1CN1CCN(C3CCC3)CC1)CCNC2
InChIInChI=1S/C18H27N3/c1-2-18(3-1)21-10-8-20(9-11-21)14-15-4-5-17-13-19-7-6-16(17)12-15/h4-5,12,18-19H,1-3,6-11,13-14H2
InChIKeyMRZKMKNAYYMXGF-UHFFFAOYSA-N
XLogP2.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline 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

2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 103998278
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)piperazine-1-carboxylate
CID 112721458
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
5-[4-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 167782969
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368313
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
8-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-azaspiro[4.5]decane
CID 103998282
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 103998358
5-[(4-tert-butylazepan-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103998331

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 91200429) is 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is c1cc2c(cc1CN1CCN(C3CCC3)CC1)CCNC2.
What is the InChIKey of 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MRZKMKNAYYMXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-18(3-1)21-10-8-20(9-11-21)14-15-4-5-17-13-19-7-6-16(17)12-15/h4-5,12,18-19H,1-3,6-11,13-14H2.
What are the key properties of 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 285.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclobutylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 91200429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).