1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol

C27H34N2O6 — CID 150035036

IUPAC1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
SMILESCOCOc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)c(OCOC)c1
InChIInChI=1S/C27H34N2O6/c1-31-19-34-23-10-11-25(27(16-23)35-20-32-2)29-14-12-28(13-15-29)17-22(30)18-33-26-9-5-7-21-6-3-4-8-24(21)26/h3-11,16,22,30H,12-15,17-20H2,1-2H3
InChIKeyDIBMOXNQBRPRFP-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.37
Rot. Bonds12

About 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol

1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 150035036) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID150035036
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
SMILESCOCOc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)c(OCOC)c1
InChIInChI=1S/C27H34N2O6/c1-31-19-34-23-10-11-25(27(16-23)35-20-32-2)29-14-12-28(13-15-29)17-22(30)18-33-26-9-5-7-21-6-3-4-8-24(21)26/h3-11,16,22,30H,12-15,17-20H2,1-2H3
InChIKeyDIBMOXNQBRPRFP-UHFFFAOYSA-N
XLogP3.37
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-naphthalen-1-yloxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 46798078
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1324667
(2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7025257
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol;hydrochloride
CID 45261253
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol (CID 150035036) is 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol is COCOc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)c(OCOC)c1.
What is the InChIKey of 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is DIBMOXNQBRPRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-31-19-34-23-10-11-25(27(16-23)35-20-32-2)29-14-12-28(13-15-29)17-22(30)18-33-26-9-5-7-21-6-3-4-8-24(21)26/h3-11,16,22,30H,12-15,17-20H2,1-2H3.
What are the key properties of 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 482.58 g/mol, XLogP of 3.37, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 150035036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).