1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine

C21H27N3O — CID 11002234

IUPAC1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)CCC(CN1CCN(c3ccccn3)CC1)C2
InChIInChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
InChIKeyUQISWIRNAUDVMP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.02
Rot. Bonds4

About 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 11002234) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID11002234
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)CCC(CN1CCN(c3ccccn3)CC1)C2
InChIInChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3
InChIKeyUQISWIRNAUDVMP-UHFFFAOYSA-N
XLogP3.02
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine
CID 4992
Liranaftate
CID 3936
Pyrilamine hydrochloride
CID 80139
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine (CID 11002234) is 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine is COc1ccc2c(c1)CCC(CN1CCN(c3ccccn3)CC1)C2.
What is the InChIKey of 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UQISWIRNAUDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-25-20-8-7-18-14-17(5-6-19(18)15-20)16-23-10-12-24(13-11-23)21-4-2-3-9-22-21/h2-4,7-9,15,17H,5-6,10-14,16H2,1H3.
What are the key properties of 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 337.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 11002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).