6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol

C20H24N2O — CID 2092624

IUPAC6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C20H24N2O/c23-20-14-17-6-4-5-16(17)13-18(20)15-21-9-11-22(12-10-21)19-7-2-1-3-8-19/h1-3,7-8,13-14,23H,4-6,9-12,15H2
InChIKeyVZKCLLQKALAJPA-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.20
Rot. Bonds3

About 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol

6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 2092624) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID2092624
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2
InChIInChI=1S/C20H24N2O/c23-20-14-17-6-4-5-16(17)13-18(20)15-21-9-11-22(12-10-21)19-7-2-1-3-8-19/h1-3,7-8,13-14,23H,4-6,9-12,15H2
InChIKeyVZKCLLQKALAJPA-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 818475
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine
CID 3050207
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 57096083
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 39911961
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 9362035
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
CID 50987103
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyran-2-one
CID 71708767
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol (CID 2092624) is 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol is Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2.
What is the InChIKey of 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is VZKCLLQKALAJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20-14-17-6-4-5-16(17)13-18(20)15-21-9-11-22(12-10-21)19-7-2-1-3-8-19/h1-3,7-8,13-14,23H,4-6,9-12,15H2.
What are the key properties of 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 308.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 2092624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).