1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol

C18H24N2O2 — CID 82263008

IUPAC1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)C(C)N1CCNCC1
InChIInChI=1S/C18H24N2O2/c1-13(20-11-9-19-10-12-20)18(21)17-15-6-4-3-5-14(15)7-8-16(17)22-2/h3-8,13,18-19,21H,9-12H2,1-2H3
InChIKeyHMYNGVFZXKZMJC-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol

1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 82263008) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
PubChem CID82263008
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)C(C)N1CCNCC1
InChIInChI=1S/C18H24N2O2/c1-13(20-11-9-19-10-12-20)18(21)17-15-6-4-3-5-14(15)7-8-16(17)22-2/h3-8,13,18-19,21H,9-12H2,1-2H3
InChIKeyHMYNGVFZXKZMJC-UHFFFAOYSA-N
XLogP2.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
1-[(1S)-1-(2-methoxynaphthalen-1-yl)but-3-enyl]piperazine;dihydrochloride
CID 171282098
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
1-[(1R)-1-(2-methoxynaphthalen-1-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171294742
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
4-bromo-1-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 171892817
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol (CID 82263008) is 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol is COc1ccc2ccccc2c1C(O)C(C)N1CCNCC1.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is HMYNGVFZXKZMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(20-11-9-19-10-12-20)18(21)17-15-6-4-3-5-14(15)7-8-16(17)22-2/h3-8,13,18-19,21H,9-12H2,1-2H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol?
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).