[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone

C22H30N3O4+ — CID 7126450

IUPAC[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O4/c26-20(17-29-21-6-5-18-3-1-2-4-19(18)15-21)16-23-7-9-24(10-8-23)22(27)25-11-13-28-14-12-25/h1-6,15,20,26H,7-14,16-17H2/p+1/t20-/m1/s1
InChIKeyDHAPTENVIJFXCT-HXUWFJFHSA-O
MW400.50 g/mol
LogP0.23
Rot. Bonds5

About [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone

[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone (PubChem CID 7126450) has the molecular formula C22H30N3O4+ and a molecular weight of 400.50 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
PubChem CID7126450
Molecular FormulaC22H30N3O4+
Molecular Weight400.50 g/mol
Exact Mass400.22
IUPAC Name[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O4/c26-20(17-29-21-6-5-18-3-1-2-4-19(18)15-21)16-23-7-9-24(10-8-23)22(27)25-11-13-28-14-12-25/h1-6,15,20,26H,7-14,16-17H2/p+1/t20-/m1/s1
InChIKeyDHAPTENVIJFXCT-HXUWFJFHSA-O
XLogP0.23
TPSA66.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
CID 86763298
ethyl 4-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate
CID 6988340
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 4137273
[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone chloride
CID 43834277
[4-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
CID 6968803
1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 111382186
1-(6-bromonaphthalen-2-yl)oxy-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-2-ol
CID 5070241
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083
[4-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 9205251
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone (CID 7126450) is [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone?
The InChIKey is DHAPTENVIJFXCT-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H29N3O4/c26-20(17-29-21-6-5-18-3-1-2-4-19(18)15-21)16-23-7-9-24(10-8-23)22(27)25-11-13-28-14-12-25/h1-6,15,20,26H,7-14,16-17H2/p+1/t20-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone?
[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone has a molecular weight of 400.50 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7126450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).