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

C30H38N4O — CID 52948338

IUPAC6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3
InChIKeySRCFLOVZPHBHHM-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.85
Rot. Bonds8

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

6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 52948338) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID52948338
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC Name6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3
InChIKeySRCFLOVZPHBHHM-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 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 52948338) is 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SRCFLOVZPHBHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c1-2-16-33(28-10-11-29-26(23-28)4-3-5-30(29)35)20-17-32-18-21-34(22-19-32)27-8-6-24(7-9-27)25-12-14-31-15-13-25/h3-9,12-15,28,35H,2,10-11,16-23H2,1H3.
What are the key properties of 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-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 6-[propyl-[2-[4-(4-pyridin-4-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 52948338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).