1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine

C22H28ClN3 — CID 91360537

IUPAC1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN1CCC(N(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)CC1
InChIInChI=1S/C22H28ClN3/c1-25-12-10-19(11-13-25)26(2)20-8-6-16-7-9-22(21(16)15-20)24-18-5-3-4-17(23)14-18/h3-6,8,14-15,19,22,24H,7,9-13H2,1-2H3
InChIKeyYEGQNNKYOKNMRB-UHFFFAOYSA-N
MW369.94 g/mol
LogP4.97
Rot. Bonds4

About 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine

1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine (PubChem CID 91360537) has the molecular formula C22H28ClN3 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine
PubChem CID91360537
Molecular FormulaC22H28ClN3
Molecular Weight369.94 g/mol
Exact Mass369.20
IUPAC Name1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine
SMILESCN1CCC(N(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)CC1
InChIInChI=1S/C22H28ClN3/c1-25-12-10-19(11-13-25)26(2)20-8-6-16-7-9-22(21(16)15-20)24-18-5-3-4-17(23)14-18/h3-6,8,14-15,19,22,24H,7,9-13H2,1-2H3
InChIKeyYEGQNNKYOKNMRB-UHFFFAOYSA-N
XLogP4.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine?
The IUPAC name of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine (CID 91360537) is 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine.
What is the SMILES notation for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine?
The canonical SMILES for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine is CN1CCC(N(C)c2ccc3c(c2)C(Nc2cccc(Cl)c2)CC3)CC1.
What is the InChIKey of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine?
The InChIKey is YEGQNNKYOKNMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3/c1-25-12-10-19(11-13-25)26(2)20-8-6-16-7-9-22(21(16)15-20)24-18-5-3-4-17(23)14-18/h3-6,8,14-15,19,22,24H,7,9-13H2,1-2H3.
What are the key properties of 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine?
1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine has a molecular weight of 369.94 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,6-diamine is sourced from PubChem (CID 91360537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).