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

C24H34N4O — CID 52948252

IUPAC7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccncc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3
InChIKeyJBAHBJRMOBCAFP-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.18
Rot. Bonds7

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

7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 52948252) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID52948252
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccncc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3
InChIKeyJBAHBJRMOBCAFP-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-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 52948252) is 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ccncc2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is JBAHBJRMOBCAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-11-27(23-5-3-20-4-6-24(29)19-21(20)18-23)15-12-26-13-16-28(17-14-26)22-7-9-25-10-8-22/h4,6-10,19,23,29H,2-3,5,11-18H2,1H3.
What are the key properties of 7-[propyl-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl-[2-(4-pyridin-4-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-4-ylpiperazin-1-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 52948252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).