N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine

C17H23N3 — CID 82572732

IUPACN,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCNc1cccc2c(N3CCCC(C)C3)ncc(C)c12
InChIInChI=1S/C17H23N3/c1-12-6-5-9-20(11-12)17-14-7-4-8-15(18-3)16(14)13(2)10-19-17/h4,7-8,10,12,18H,5-6,9,11H2,1-3H3
InChIKeySHUFHEKBJFTJHI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.82
Rot. Bonds2

About N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine

N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine (PubChem CID 82572732) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine
PubChem CID82572732
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCNc1cccc2c(N3CCCC(C)C3)ncc(C)c12
InChIInChI=1S/C17H23N3/c1-12-6-5-9-20(11-12)17-14-7-4-8-15(18-3)16(14)13(2)10-19-17/h4,7-8,10,12,18H,5-6,9,11H2,1-3H3
InChIKeySHUFHEKBJFTJHI-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)isoquinoline-4-carboxylic acid
CID 106766485
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine
CID 82572761
6-methyl-N-(2-methylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 92901168
N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106776173
1-(2,5-dimethylphenyl)-4-[(3R)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 26841838
5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride
CID 14441370
1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
CID 6416576
N-methyl-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 56699064
N-cyclopropyl-8-methyl-1-pyrrolidin-1-ylisoquinolin-4-amine
CID 82572426
1-(3-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 29105838
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine?
The IUPAC name of N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine (CID 82572732) is N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine is CNc1cccc2c(N3CCCC(C)C3)ncc(C)c12.
What is the InChIKey of N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine?
The InChIKey is SHUFHEKBJFTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-6-5-9-20(11-12)17-14-7-4-8-15(18-3)16(14)13(2)10-19-17/h4,7-8,10,12,18H,5-6,9,11H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine?
N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine has a molecular weight of 269.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 82572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).