[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C27H27FN2O3 — CID 46889854

IUPAC[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
InChIKeyJUCXTUIBEHQPPZ-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.79
Rot. Bonds7

About [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46889854) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46889854
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
InChIKeyJUCXTUIBEHQPPZ-UHFFFAOYSA-N
XLogP4.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46889854) is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is JUCXTUIBEHQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2.
What are the key properties of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 446.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46889854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).