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

C28H33ClN2O3 — CID 162308822

IUPAC1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl
InChIInChI=1S/C28H32N2O3.ClH/c1-20-7-2-5-11-26(20)32-18-21-13-15-30(16-14-21)17-22(31)19-33-27-12-6-10-25-28(27)23-8-3-4-9-24(23)29-25;/h2-12,21-22,29,31H,13-19H2,1H3;1H
InChIKeyQBXRGIQCVRGXAJ-UHFFFAOYSA-N
MW481.04 g/mol
LogP5.58
Rot. Bonds8

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

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride (PubChem CID 162308822) has the molecular formula C28H33ClN2O3 and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
PubChem CID162308822
Molecular FormulaC28H33ClN2O3
Molecular Weight481.04 g/mol
Exact Mass480.22
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl
InChIInChI=1S/C28H32N2O3.ClH/c1-20-7-2-5-11-26(20)32-18-21-13-15-30(16-14-21)17-22(31)19-33-27-12-6-10-25-28(27)23-8-3-4-9-24(23)29-25;/h2-12,21-22,29,31H,13-19H2,1H3;1H
InChIKeyQBXRGIQCVRGXAJ-UHFFFAOYSA-N
XLogP5.58
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819
1-(9H-carbazol-4-yloxy)-3-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 16730732
(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
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride (CID 162308822) is 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride is Cc1ccccc1OCC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.Cl.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is QBXRGIQCVRGXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3.ClH/c1-20-7-2-5-11-26(20)32-18-21-13-15-30(16-14-21)17-22(31)19-33-27-12-6-10-25-28(27)23-8-3-4-9-24(23)29-25;/h2-12,21-22,29,31H,13-19H2,1H3;1H.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride?
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 481.04 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 162308822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).