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

C27H28N2O3 — CID 46889852

IUPAC[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
InChIKeyZWXYSVRFDSVYEU-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.66
Rot. Bonds7

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

[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone (PubChem CID 46889852) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone
PubChem CID46889852
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
InChIKeyZWXYSVRFDSVYEU-UHFFFAOYSA-N
XLogP4.66
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.66
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]-phenylmethanone?
The IUPAC name of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone (CID 46889852) is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is ZWXYSVRFDSVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2.
What are the key properties of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone?
[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 428.53 g/mol, XLogP of 4.66, 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]-phenylmethanone is sourced from PubChem (CID 46889852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).