5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C22H30N4O — CID 10474096

IUPAC5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H30N4O/c1-27-21-9-5-6-18-19(21)7-4-8-20(18)23-12-13-25-14-16-26(17-15-25)22-10-2-3-11-24-22/h2-3,5-6,9-11,20,23H,4,7-8,12-17H2,1H3
InChIKeyWMEXYJKBXVWCOJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.88
Rot. Bonds6

About 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10474096) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10474096
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H30N4O/c1-27-21-9-5-6-18-19(21)7-4-8-20(18)23-12-13-25-14-16-26(17-15-25)22-10-2-3-11-24-22/h2-3,5-6,9-11,20,23H,4,7-8,12-17H2,1H3
InChIKeyWMEXYJKBXVWCOJ-UHFFFAOYSA-N
XLogP2.88
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10474096) is 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCCC2NCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WMEXYJKBXVWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-27-21-9-5-6-18-19(21)7-4-8-20(18)23-12-13-25-14-16-26(17-15-25)22-10-2-3-11-24-22/h2-3,5-6,9-11,20,23H,4,7-8,12-17H2,1H3.
What are the key properties of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 366.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10474096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).