1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine

C22H32N2 — CID 143002915

IUPAC1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESC/C=C\C=C/CC1C[C@@H](N2CCNC(C)(C)C2)c2cc(C)ccc21
InChIInChI=1S/C22H32N2/c1-5-6-7-8-9-18-15-21(20-14-17(2)10-11-19(18)20)24-13-12-23-22(3,4)16-24/h5-8,10-11,14,18,21,23H,9,12-13,15-16H2,1-4H3/b6-5-,8-7-/t18?,21-/m1/s1
InChIKeyGANZLSUUNJOITP-QNSMRMMMSA-N
MW324.51 g/mol
LogP4.73
Rot. Bonds4

About 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine

1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (PubChem CID 143002915) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
PubChem CID143002915
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESC/C=C\C=C/CC1C[C@@H](N2CCNC(C)(C)C2)c2cc(C)ccc21
InChIInChI=1S/C22H32N2/c1-5-6-7-8-9-18-15-21(20-14-17(2)10-11-19(18)20)24-13-12-23-22(3,4)16-24/h5-8,10-11,14,18,21,23H,9,12-13,15-16H2,1-4H3/b6-5-,8-7-/t18?,21-/m1/s1
InChIKeyGANZLSUUNJOITP-QNSMRMMMSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (CID 143002915) is 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is C/C=C\C=C/CC1C[C@@H](N2CCNC(C)(C)C2)c2cc(C)ccc21.
What is the InChIKey of 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The InChIKey is GANZLSUUNJOITP-QNSMRMMMSA-N. The full InChI is InChI=1S/C22H32N2/c1-5-6-7-8-9-18-15-21(20-14-17(2)10-11-19(18)20)24-13-12-23-22(3,4)16-24/h5-8,10-11,14,18,21,23H,9,12-13,15-16H2,1-4H3/b6-5-,8-7-/t18?,21-/m1/s1.
What are the key properties of 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine has a molecular weight of 324.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-[(2Z,4Z)-hexa-2,4-dienyl]-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is sourced from PubChem (CID 143002915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).