1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol

C24H28N2O3 — CID 131709095

IUPAC1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
SMILES[2H]C([2H])(Oc1cccc2ccccc12)C([2H])(O)C([2H])([2H])N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3/i17D2,18D2,20D
InChIKeyHRRBJVNMSRJFHQ-XOYZCUSZSA-N
MW397.53 g/mol
LogP3.41
Rot. Bonds7

About 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol

1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 131709095) has the molecular formula C24H28N2O3 and a molecular weight of 397.53 g/mol. Its IUPAC name is 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID131709095
Molecular FormulaC24H28N2O3
Molecular Weight397.53 g/mol
Exact Mass397.24
IUPAC Name1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
SMILES[2H]C([2H])(Oc1cccc2ccccc12)C([2H])(O)C([2H])([2H])N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3/i17D2,18D2,20D
InChIKeyHRRBJVNMSRJFHQ-XOYZCUSZSA-N
XLogP3.41
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 150035036
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
CID 24848775
2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride
CID 171318206
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol (CID 131709095) is 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol is [2H]C([2H])(Oc1cccc2ccccc12)C([2H])(O)C([2H])([2H])N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is HRRBJVNMSRJFHQ-XOYZCUSZSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3/i17D2,18D2,20D.
What are the key properties of 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol?
1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 397.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 131709095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).