7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C28H38N4O — CID 45272332

IUPAC7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3
InChIKeyWSQNSMNIIQXLQN-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.26
Rot. Bonds8

About 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 45272332) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID45272332
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC Name7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1
InChIInChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3
InChIKeyWSQNSMNIIQXLQN-UHFFFAOYSA-N
XLogP4.26
TPSA45.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 45272332) is 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(O)cc2C1.
What is the InChIKey of 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WSQNSMNIIQXLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/c1-2-11-32(26-6-4-23-5-7-27(33)20-25(23)19-26)17-16-30-12-14-31(15-13-30)21-22-3-8-28-24(18-22)9-10-29-28/h3,5,7-10,18,20,26,29,33H,2,4,6,11-17,19,21H2,1H3.
What are the key properties of 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 446.64 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 45272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).