1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol

C27H30N2O2 — CID 5311322

IUPAC1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3
InChIKeyXZPJYOWZGPSDDJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.18
Rot. Bonds6

About 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol

1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol (PubChem CID 5311322) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol
PubChem CID5311322
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(C2(O)CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3
InChIKeyXZPJYOWZGPSDDJ-UHFFFAOYSA-N
XLogP5.18
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol (CID 5311322) is 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol is COc1ccc(C2(O)CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol?
The InChIKey is XZPJYOWZGPSDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-31-22-13-11-21(12-14-22)27(30)15-19-28(20-16-27)17-6-18-29-25-9-4-2-7-23(25)24-8-3-5-10-26(24)29/h2-5,7-14,30H,6,15-20H2,1H3.
What are the key properties of 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol?
1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol has a molecular weight of 414.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylpropyl)-4-(4-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 5311322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).