6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

C31H38N4O — CID 137460087

IUPAC6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc3[nH]c4ccccc4c3c2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C31H38N4O/c1-2-14-34(24-10-12-26-23(21-24)6-5-9-31(26)36)18-15-33-16-19-35(20-17-33)25-11-13-30-28(22-25)27-7-3-4-8-29(27)32-30/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3
InChIKeyMZCNTGNMNIIBQS-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.42
Rot. Bonds7

About 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 137460087) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID137460087
Molecular FormulaC31H38N4O
Molecular Weight482.67 g/mol
Exact Mass482.30
IUPAC Name6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc3[nH]c4ccccc4c3c2)CC1)C1CCc2c(O)cccc2C1
InChIInChI=1S/C31H38N4O/c1-2-14-34(24-10-12-26-23(21-24)6-5-9-31(26)36)18-15-33-16-19-35(20-17-33)25-11-13-30-28(22-25)27-7-3-4-8-29(27)32-30/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3
InChIKeyMZCNTGNMNIIBQS-UHFFFAOYSA-N
XLogP5.42
TPSA45.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 137460087) is 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccc3[nH]c4ccccc4c3c2)CC1)C1CCc2c(O)cccc2C1.
What is the InChIKey of 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is MZCNTGNMNIIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O/c1-2-14-34(24-10-12-26-23(21-24)6-5-9-31(26)36)18-15-33-16-19-35(20-17-33)25-11-13-30-28(22-25)27-7-3-4-8-29(27)32-30/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3.
What are the key properties of 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 482.67 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 137460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).