1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

C20H23N3O2 — CID 10131909

IUPAC1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESC#CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H23N3O2/c1-3-14-25-19-15-17(7-8-18(19)24-2)16-22-10-12-23(13-11-22)20-6-4-5-9-21-20/h1,4-9,15H,10-14,16H2,2H3
InChIKeyUNASZHOOBHOEQU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.42
Rot. Bonds6

About 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 10131909) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID10131909
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESC#CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H23N3O2/c1-3-14-25-19-15-17(7-8-18(19)24-2)16-22-10-12-23(13-11-22)20-6-4-5-9-21-20/h1,4-9,15H,10-14,16H2,2H3
InChIKeyUNASZHOOBHOEQU-UHFFFAOYSA-N
XLogP2.42
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 28953775
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
6,7-dimethoxy-2-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 87947050
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220840
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetate
CID 18403871
ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetate;dihydrochloride
CID 18403870

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (CID 10131909) is 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is C#CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OC.
What is the InChIKey of 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UNASZHOOBHOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-14-25-19-15-17(7-8-18(19)24-2)16-22-10-12-23(13-11-22)20-6-4-5-9-21-20/h1,4-9,15H,10-14,16H2,2H3.
What are the key properties of 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 337.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10131909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).