6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C25H35N3O — CID 24754913

IUPAC6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C25H35N3O/c1-2-12-27(24-10-8-22-20-25(29)11-9-21(22)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3
InChIKeyPACGJHIALGCWJV-UHFFFAOYSA-N
MW393.57 g/mol
LogP3.78
Rot. Bonds7

About 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 24754913) has the molecular formula C25H35N3O and a molecular weight of 393.57 g/mol. Its IUPAC name is 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID24754913
Molecular FormulaC25H35N3O
Molecular Weight393.57 g/mol
Exact Mass393.28
IUPAC Name6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C25H35N3O/c1-2-12-27(24-10-8-22-20-25(29)11-9-21(22)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3
InChIKeyPACGJHIALGCWJV-UHFFFAOYSA-N
XLogP3.78
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 24754913) is 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is PACGJHIALGCWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-22-20-25(29)11-9-21(22)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3.
What are the key properties of 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 393.57 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 24754913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).