1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine

C20H25N3O — CID 23288910

IUPAC1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine
SMILESc1ccc2c(c1)CCOC2CCN1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O/c1-2-4-19-17(3-1)8-16-24-20(19)7-11-22-12-14-23(15-13-22)18-5-9-21-10-6-18/h1-6,9-10,20H,7-8,11-16H2
InChIKeyXAHNAGKBLRUSNB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine

1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine (PubChem CID 23288910) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine
PubChem CID23288910
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine
SMILESc1ccc2c(c1)CCOC2CCN1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O/c1-2-4-19-17(3-1)8-16-24-20(19)7-11-22-12-14-23(15-13-22)18-5-9-21-10-6-18/h1-6,9-10,20H,7-8,11-16H2
InChIKeyXAHNAGKBLRUSNB-UHFFFAOYSA-N
XLogP2.91
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]phenol;dihydrochloride
CID 23288826
bis(1-(4-chlorophenyl)-4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine);hydrate;tetrahydrochloride
CID 173295089
4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzamide
CID 10270210
1-(1,3-benzodioxol-5-yl)-4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine;dihydrochloride
CID 70082396
1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine
CID 23210055
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromen-6-amine
CID 57245613
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
CID 23288874
1-[2-(6-fluoro-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 23288867
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
N-[4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]phenyl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135309780
2-[1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-isochromen-6-yl]acetamide
CID 139807680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine (CID 23288910) is 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine is c1ccc2c(c1)CCOC2CCN1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine?
The InChIKey is XAHNAGKBLRUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-4-19-17(3-1)8-16-24-20(19)7-11-22-12-14-23(15-13-22)18-5-9-21-10-6-18/h1-6,9-10,20H,7-8,11-16H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine?
1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine has a molecular weight of 323.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 23288910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).