(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

C16H26N4 — CID 82584748

IUPAC(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)N(C)CC2N1CCNCC1
InChIInChI=1S/C16H26N4/c1-12-3-4-13-14(9-12)15(10-17)19(2)11-16(13)20-7-5-18-6-8-20/h3-4,9,15-16,18H,5-8,10-11,17H2,1-2H3
InChIKeyJOMIKEKELWPDMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.89
Rot. Bonds2

About (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (PubChem CID 82584748) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
PubChem CID82584748
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)N(C)CC2N1CCNCC1
InChIInChI=1S/C16H26N4/c1-12-3-4-13-14(9-12)15(10-17)19(2)11-16(13)20-7-5-18-6-8-20/h3-4,9,15-16,18H,5-8,10-11,17H2,1-2H3
InChIKeyJOMIKEKELWPDMZ-UHFFFAOYSA-N
XLogP0.89
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584864
1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584746
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
1-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
CID 22767867
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094
1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
CID 66195592
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The IUPAC name of (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (CID 82584748) is (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.
What is the SMILES notation for (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The canonical SMILES for (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is Cc1ccc2c(c1)C(CN)N(C)CC2N1CCNCC1.
What is the InChIKey of (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The InChIKey is JOMIKEKELWPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-3-4-13-14(9-12)15(10-17)19(2)11-16(13)20-7-5-18-6-8-20/h3-4,9,15-16,18H,5-8,10-11,17H2,1-2H3.
What are the key properties of (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is sourced from PubChem (CID 82584748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).