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

C31H38N4O — CID 137460109

IUPAC(6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc3c(c2)[nH]c2ccccc23)CC1)[C@H]1CCc2c(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)25-11-13-28-27-7-3-4-8-29(27)32-30(28)22-25/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3/t24-/m0/s1
InChIKeyKLZWBFTXUIUAEI-DEOSSOPVSA-N
MW482.67 g/mol
LogP5.42
Rot. Bonds7

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

(6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 137460109) has the molecular formula C31H38N4O and a molecular weight of 482.67 g/mol. Its IUPAC name is (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID137460109
Molecular FormulaC31H38N4O
Molecular Weight482.67 g/mol
Exact Mass482.30
IUPAC Name(6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCN1CCN(c2ccc3c(c2)[nH]c2ccccc23)CC1)[C@H]1CCc2c(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)25-11-13-28-27-7-3-4-8-29(27)32-30(28)22-25/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3/t24-/m0/s1
InChIKeyKLZWBFTXUIUAEI-DEOSSOPVSA-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 (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 137460109) is (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCN1CCN(c2ccc3c(c2)[nH]c2ccccc23)CC1)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is KLZWBFTXUIUAEI-DEOSSOPVSA-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)25-11-13-28-27-7-3-4-8-29(27)32-30(28)22-25/h3-9,11,13,22,24,32,36H,2,10,12,14-21H2,1H3/t24-/m0/s1.
What are the key properties of (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-[2-[4-(9H-carbazol-2-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 (6S)-6-[2-[4-(9H-carbazol-2-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 137460109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).