1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine

C23H28N2 — CID 3050207

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3c4c(cc5c3CCC5)CCC4)CC2)cc1
InChIInChI=1S/C23H28N2/c1-2-8-20(9-3-1)25-14-12-24(13-15-25)17-23-21-10-4-6-18(21)16-19-7-5-11-22(19)23/h1-3,8-9,16H,4-7,10-15,17H2
InChIKeyYSVSDFHUTOOJEL-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.99
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine (PubChem CID 3050207) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine
PubChem CID3050207
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3c4c(cc5c3CCC5)CCC4)CC2)cc1
InChIInChI=1S/C23H28N2/c1-2-8-20(9-3-1)25-14-12-24(13-15-25)17-23-21-10-4-6-18(21)16-19-7-5-11-22(19)23/h1-3,8-9,16H,4-7,10-15,17H2
InChIKeyYSVSDFHUTOOJEL-UHFFFAOYSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
CID 2092624
3-fluoro-2-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 63330878
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
1-fluoro-4-phenylpiperazine
CID 23450926
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
CID 50987103

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine (CID 3050207) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine is c1ccc(N2CCN(Cc3c4c(cc5c3CCC5)CCC4)CC2)cc1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine?
The InChIKey is YSVSDFHUTOOJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-8-20(9-3-1)25-14-12-24(13-15-25)17-23-21-10-4-6-18(21)16-19-7-5-11-22(19)23/h1-3,8-9,16H,4-7,10-15,17H2.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine has a molecular weight of 332.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethyl)-4-phenylpiperazine is sourced from PubChem (CID 3050207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).