1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine

C22H26N2 — CID 23940986

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H26N2/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)22-17-20-10-4-5-11-21(20)18-22/h1-11,22H,12-18H2
InChIKeyQQDKMFCOKNYNFZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.48
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine

1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 23940986) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID23940986
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H26N2/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)22-17-20-10-4-5-11-21(20)18-22/h1-11,22H,12-18H2
InChIKeyQQDKMFCOKNYNFZ-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[(E)-3-phenylprop-2-enyl]-4-(9H-thioxanthen-9-yl)piperazine
CID 15723912
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
CID 15723913
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-(3-phenylprop-2-enyl)-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)piperazine
CID 54200816

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine (CID 23940986) is 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine is C(=Cc1ccccc1)CN1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is QQDKMFCOKNYNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)22-17-20-10-4-5-11-21(20)18-22/h1-11,22H,12-18H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 318.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 23940986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).