6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine

C16H21N3O2 — CID 14068969

IUPAC6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine
SMILESCOc1cc2cc(N3CCCCC3)nc(N)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-13-8-11-9-15(19-6-4-3-5-7-19)18-16(17)12(11)10-14(13)21-2/h8-10H,3-7H2,1-2H3,(H2,17,18)
InChIKeyZUJVYZPKWKRLPE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.82
Rot. Bonds3

About 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine

6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine (PubChem CID 14068969) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine.

Molecular Properties

Compound Name6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine
PubChem CID14068969
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine
SMILESCOc1cc2cc(N3CCCCC3)nc(N)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-13-8-11-9-15(19-6-4-3-5-7-19)18-16(17)12(11)10-14(13)21-2/h8-10H,3-7H2,1-2H3,(H2,17,18)
InChIKeyZUJVYZPKWKRLPE-UHFFFAOYSA-N
XLogP2.82
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Liranaftate
CID 3936
Abanoquil
CID 164089
2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-4-ylamine
CID 9978046
Ngd-4715
CID 9866893
6,7-dimethoxy-N,N-dimethylquinoline-2,4-diamine
CID 13359984
3-(3,4-Dimethoxy-2-methylphenyl)-6,7-dimethoxy-1-isoquinolinylamine
CID 1006316
6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 4781445
6,7-Dimethoxy-2-(4-phenylpiperazin-1-yl)quinolin-4-amine
CID 13359988
4-Amino-6,7-dimethoxy-2-(piperazin-1-yl)quinoline
CID 14068998
5-(6,7-dimethoxyisoquinolin-1-yl)-N-isopropylpyridin-2-amine
CID 24852232
3-(3,4-Dimethoxyphenyl)-6-methylisoquinolin-1-amine
CID 24951694
4-[2-Amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol
CID 44525559

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine?
The IUPAC name of 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine (CID 14068969) is 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine.
What is the SMILES notation for 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine?
The canonical SMILES for 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine is COc1cc2cc(N3CCCCC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine?
The InChIKey is ZUJVYZPKWKRLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-13-8-11-9-15(19-6-4-3-5-7-19)18-16(17)12(11)10-14(13)21-2/h8-10H,3-7H2,1-2H3,(H2,17,18).
What are the key properties of 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine?
6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-piperidin-1-ylisoquinolin-1-amine is sourced from PubChem (CID 14068969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).