7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C24H34N4O — CID 52943355

IUPAC7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccnc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3
InChIKeyLFLWSALOEDMVRA-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.18
Rot. Bonds7

About 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 52943355) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID52943355
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2cccnc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3
InChIKeyLFLWSALOEDMVRA-UHFFFAOYSA-N
XLogP3.18
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 52943355) is 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2cccnc2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LFLWSALOEDMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-10-27(22-7-5-20-6-8-24(29)18-21(20)17-22)14-11-26-12-15-28(16-13-26)23-4-3-9-25-19-23/h3-4,6,8-9,18-19,22,29H,2,5,7,10-17H2,1H3.
What are the key properties of 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 394.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 52943355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).