2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride

C22H33ClN4O — CID 45259206

IUPAC2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride
SMILESCOc1c(C)cc(CN2CCN(c3ncccc3NC(C)C)CC2)cc1C.Cl
InChIInChI=1S/C22H32N4O.ClH/c1-16(2)24-20-7-6-8-23-22(20)26-11-9-25(10-12-26)15-19-13-17(3)21(27-5)18(4)14-19;/h6-8,13-14,16,24H,9-12,15H2,1-5H3;1H
InChIKeyCAIFMATUVQEIGS-UHFFFAOYSA-N
MW404.99 g/mol
LogP4.27
Rot. Bonds6

About 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride

2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride (PubChem CID 45259206) has the molecular formula C22H33ClN4O and a molecular weight of 404.99 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride
PubChem CID45259206
Molecular FormulaC22H33ClN4O
Molecular Weight404.99 g/mol
Exact Mass404.23
IUPAC Name2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride
SMILESCOc1c(C)cc(CN2CCN(c3ncccc3NC(C)C)CC2)cc1C.Cl
InChIInChI=1S/C22H32N4O.ClH/c1-16(2)24-20-7-6-8-23-22(20)26-11-9-25(10-12-26)15-19-13-17(3)21(27-5)18(4)14-19;/h6-8,13-14,16,24H,9-12,15H2,1-5H3;1H
InChIKeyCAIFMATUVQEIGS-UHFFFAOYSA-N
XLogP4.27
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride with MolForge

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine hydrochloride
CID 80139
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
[3H]pyrilamine
CID 656400
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amine
CID 10474096

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride?
The IUPAC name of 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride (CID 45259206) is 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride?
The canonical SMILES for 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride is COc1c(C)cc(CN2CCN(c3ncccc3NC(C)C)CC2)cc1C.Cl.
What is the InChIKey of 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride?
The InChIKey is CAIFMATUVQEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O.ClH/c1-16(2)24-20-7-6-8-23-22(20)26-11-9-25(10-12-26)15-19-13-17(3)21(27-5)18(4)14-19;/h6-8,13-14,16,24H,9-12,15H2,1-5H3;1H.
What are the key properties of 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride?
2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride has a molecular weight of 404.99 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 45259206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).