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

C30H38N4O — CID 52949517

IUPAC7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3
InChIKeyBEZGSFSQVUCZFC-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.85
Rot. Bonds8

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

7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 52949517) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID52949517
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC Name7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3
InChIKeyBEZGSFSQVUCZFC-UHFFFAOYSA-N
XLogP4.85
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 54.85
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-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 52949517) is 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is BEZGSFSQVUCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3.
What are the key properties of 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 470.66 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 52949517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).