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

C30H38N4O — CID 52949727

IUPAC7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
InChIKeyAQQDXLPBCNHRIE-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.85
Rot. Bonds8

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

7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 52949727) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is 7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID52949727
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC Name7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3
InChIKeyAQQDXLPBCNHRIE-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-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 52949727) is 7-[propyl-[2-[4-(4-pyridin-4-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-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AQQDXLPBCNHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c1-2-15-33(29-9-5-25-6-10-30(35)23-27(25)22-29)19-16-32-17-20-34(21-18-32)28-7-3-24(4-8-28)26-11-13-31-14-12-26/h3-4,6-8,10-14,23,29,35H,2,5,9,15-22H2,1H3.
What are the key properties of 7-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[propyl-[2-[4-(4-pyridin-4-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-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 52949727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).