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

C17H26N2 — CID 104557490

IUPAC5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCN(Cc2cccc3c2CCNC3)C(C)C1
InChIInChI=1S/C17H26N2/c1-13-7-9-19(14(2)10-13)12-16-5-3-4-15-11-18-8-6-17(15)16/h3-5,13-14,18H,6-12H2,1-2H3
InChIKeyJKKHUOBZVGDCQP-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.95
Rot. Bonds2

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

5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104557490) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID104557490
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCN(Cc2cccc3c2CCNC3)C(C)C1
InChIInChI=1S/C17H26N2/c1-13-7-9-19(14(2)10-13)12-16-5-3-4-15-11-18-8-6-17(15)16/h3-5,13-14,18H,6-12H2,1-2H3
InChIKeyJKKHUOBZVGDCQP-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557329
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
CID 104557518
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214550
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
8-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114491149
4-methyl-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one
CID 156565209

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 104557490) is 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC1CCN(Cc2cccc3c2CCNC3)C(C)C1.
What is the InChIKey of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JKKHUOBZVGDCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-7-9-19(14(2)10-13)12-16-5-3-4-15-11-18-8-6-17(15)16/h3-5,13-14,18H,6-12H2,1-2H3.
What are the key properties of 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 258.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104557490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).