5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C15H23N3 — CID 20825799

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(Cc2cccc3c2CCNC3)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-14-4-2-3-13-11-16-6-5-15(13)14/h2-4,16H,5-12H2,1H3
InChIKeyMONZWHAMAWAKRV-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.08
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 20825799) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID20825799
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN(Cc2cccc3c2CCNC3)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-14-4-2-3-13-11-16-6-5-15(13)14/h2-4,16H,5-12H2,1H3
InChIKeyMONZWHAMAWAKRV-UHFFFAOYSA-N
XLogP1.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

ethane;4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 166485971
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
CID 104557518
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557510
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557490
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557329
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 20825799) is 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CN1CCN(Cc2cccc3c2CCNC3)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MONZWHAMAWAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-14-4-2-3-13-11-16-6-5-15(13)14/h2-4,16H,5-12H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 20825799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).