1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

C23H29N3O — CID 10248164

IUPAC1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)C(CCCN1CCN(c3ccccn3)CC1)=CCC2
InChIInChI=1S/C23H29N3O/c1-27-21-11-10-20-7-4-6-19(22(20)18-21)8-5-13-25-14-16-26(17-15-25)23-9-2-3-12-24-23/h2-3,6,9-12,18H,4-5,7-8,13-17H2,1H3
InChIKeyDDSQFXURFLIECO-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.02
Rot. Bonds6

About 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine

1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (PubChem CID 10248164) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
PubChem CID10248164
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine
SMILESCOc1ccc2c(c1)C(CCCN1CCN(c3ccccn3)CC1)=CCC2
InChIInChI=1S/C23H29N3O/c1-27-21-11-10-20-7-4-6-19(22(20)18-21)8-5-13-25-14-16-26(17-15-25)23-9-2-3-12-24-23/h2-3,6,9-12,18H,4-5,7-8,13-17H2,1H3
InChIKeyDDSQFXURFLIECO-UHFFFAOYSA-N
XLogP4.02
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine
CID 4992
Liranaftate
CID 3936
Pyrilamine hydrochloride
CID 80139
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
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-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine (CID 10248164) is 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is COc1ccc2c(c1)C(CCCN1CCN(c3ccccn3)CC1)=CCC2.
What is the InChIKey of 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is DDSQFXURFLIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-27-21-11-10-20-7-4-6-19(22(20)18-21)8-5-13-25-14-16-26(17-15-25)23-9-2-3-12-24-23/h2-3,6,9-12,18H,4-5,7-8,13-17H2,1H3.
What are the key properties of 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine?
1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 363.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10248164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).