1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine

C19H22N2O — CID 92968612

IUPAC1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN([C@H]3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-2-7-17(8-3-1)20-10-12-21(13-11-20)18-14-16-6-4-5-9-19(16)22-15-18/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyGVDKPJIEHKCNNK-GOSISDBHSA-N
MW294.40 g/mol
LogP2.81
Rot. Bonds2

About 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine (PubChem CID 92968612) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
PubChem CID92968612
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
SMILESc1ccc(N2CCN([C@H]3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-2-7-17(8-3-1)20-10-12-21(13-11-20)18-14-16-6-4-5-9-19(16)22-15-18/h1-9,18H,10-15H2/t18-/m1/s1
InChIKeyGVDKPJIEHKCNNK-GOSISDBHSA-N
XLogP2.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-(4-methoxyphenyl)piperazine
CID 92968617
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
CID 56859547
1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
CID 163236275
1-cycloheptyl-4-phenylpiperazine
CID 2846720
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
1-fluoro-4-phenylpiperazine
CID 23450926
5-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 178065874

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine?
The IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine (CID 92968612) is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine is c1ccc(N2CCN([C@H]3COc4ccccc4C3)CC2)cc1.
What is the InChIKey of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine?
The InChIKey is GVDKPJIEHKCNNK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-7-17(8-3-1)20-10-12-21(13-11-20)18-14-16-6-4-5-9-19(16)22-15-18/h1-9,18H,10-15H2/t18-/m1/s1.
What are the key properties of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine?
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine has a molecular weight of 294.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine is sourced from PubChem (CID 92968612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).