1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride

C28H33ClN2O4 — CID 162317183

IUPAC1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCOc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl
InChIInChI=1S/C28H32N2O4.ClH/c1-32-25-10-4-5-11-26(25)33-18-20-13-15-30(16-14-20)17-21(31)19-34-27-12-6-9-24-28(27)22-7-2-3-8-23(22)29-24;/h2-12,20-21,29,31H,13-19H2,1H3;1H
InChIKeyAAGCQSCOMOOIRK-UHFFFAOYSA-N
MW497.04 g/mol
LogP5.28
Rot. Bonds9

About 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride (PubChem CID 162317183) has the molecular formula C28H33ClN2O4 and a molecular weight of 497.04 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
PubChem CID162317183
Molecular FormulaC28H33ClN2O4
Molecular Weight497.04 g/mol
Exact Mass496.21
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCOc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl
InChIInChI=1S/C28H32N2O4.ClH/c1-32-25-10-4-5-11-26(25)33-18-20-13-15-30(16-14-20)17-21(31)19-34-27-12-6-9-24-28(27)22-7-2-3-8-23(22)29-24;/h2-12,20-21,29,31H,13-19H2,1H3;1H
InChIKeyAAGCQSCOMOOIRK-UHFFFAOYSA-N
XLogP5.28
TPSA66.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.04
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819
4-[2-hydroxy-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propoxy]-1,3-dihydroindol-2-one
CID 70573175
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
1-(9H-carbazol-4-yloxy)-3-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 16730732
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-N,N-dimethyl-1H-indole-2-carboxamide
CID 154004811
[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16730886

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride (CID 162317183) is 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride is COc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is AAGCQSCOMOOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4.ClH/c1-32-25-10-4-5-11-26(25)33-18-20-13-15-30(16-14-20)17-21(31)19-34-27-12-6-9-24-28(27)22-7-2-3-8-23(22)29-24;/h2-12,20-21,29,31H,13-19H2,1H3;1H.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 497.04 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 162317183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).