hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride

C17H22ClNO3 — CID 2999607

IUPAChydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
SMILESOC(COc1ccc2ccccc2c1)CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C17H21NO3.ClH/c19-16(12-18-7-9-20-10-8-18)13-21-17-6-5-14-3-1-2-4-15(14)11-17;/h1-6,11,16,19H,7-10,12-13H2;1H
InChIKeyXBNWBUPHURMDAP-UHFFFAOYSA-N
MW323.82 g/mol
LogP-0.97
Rot. Bonds5

About hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride

hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride (PubChem CID 2999607) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride.

Molecular Properties

Compound Namehydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
PubChem CID2999607
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Namehydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
SMILESOC(COc1ccc2ccccc2c1)CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C17H21NO3.ClH/c19-16(12-18-7-9-20-10-8-18)13-21-17-6-5-14-3-1-2-4-15(14)11-17;/h1-6,11,16,19H,7-10,12-13H2;1H
InChIKeyXBNWBUPHURMDAP-UHFFFAOYSA-N
XLogP-0.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
CID 86763298
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821

Frequently Asked Questions

What is the IUPAC name of hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride?
The IUPAC name of hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride (CID 2999607) is hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride.
What is the SMILES notation for hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride?
The canonical SMILES for hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride is OC(COc1ccc2ccccc2c1)CN1CCOCC1.[Cl-].[H+].
What is the InChIKey of hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride?
The InChIKey is XBNWBUPHURMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c19-16(12-18-7-9-20-10-8-18)13-21-17-6-5-14-3-1-2-4-15(14)11-17;/h1-6,11,16,19H,7-10,12-13H2;1H.
What are the key properties of hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride?
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride has a molecular weight of 323.82 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride is sourced from PubChem (CID 2999607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).