1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine

C23H30N2O3 — CID 22154243

IUPAC1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine
SMILESCOc1cc(OC)cc(N2CCN(CCC3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-26-20-15-19(16-21(17-20)27-2)25-12-10-24(11-13-25)9-7-18-8-14-28-23-6-4-3-5-22(18)23/h3-6,15-18H,7-14H2,1-2H3
InChIKeyBYDHNBBFHNEHAJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine

1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine (PubChem CID 22154243) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine
PubChem CID22154243
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine
SMILESCOc1cc(OC)cc(N2CCN(CCC3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-26-20-15-19(16-21(17-20)27-2)25-12-10-24(11-13-25)9-7-18-8-14-28-23-6-4-3-5-22(18)23/h3-6,15-18H,7-14H2,1-2H3
InChIKeyBYDHNBBFHNEHAJ-UHFFFAOYSA-N
XLogP3.78
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
CID 22154312
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
N-[4-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]phenyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 22154220
3-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]phenol;hydrobromide
CID 70360222
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
CID 142283431
2-[4-[4-[2-(6-amino-3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-2-methoxyphenoxy]-2-oxoacetic acid
CID 57105051
[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-pyridin-3-ylmethanone;hydrate;dihydrochloride
CID 19829443
[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone;hydrochloride
CID 22154223
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine (CID 22154243) is 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine is COc1cc(OC)cc(N2CCN(CCC3CCOc4ccccc43)CC2)c1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine?
The InChIKey is BYDHNBBFHNEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-26-20-15-19(16-21(17-20)27-2)25-12-10-24(11-13-25)9-7-18-8-14-28-23-6-4-3-5-22(18)23/h3-6,15-18H,7-14H2,1-2H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine?
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine has a molecular weight of 382.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine is sourced from PubChem (CID 22154243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).