1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C26H37N3O3 — CID 45215133

IUPAC1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3ccc(OC)c(C)c3OC)C2)CC1
InChIInChI=1S/C26H37N3O3/c1-20-24(30-2)12-11-21(26(20)32-4)18-27-13-7-8-22(19-27)28-14-16-29(17-15-28)23-9-5-6-10-25(23)31-3/h5-6,9-12,22H,7-8,13-19H2,1-4H3
InChIKeyQKYJEHJWRMHQLK-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.81
Rot. Bonds7

About 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 45215133) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID45215133
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3ccc(OC)c(C)c3OC)C2)CC1
InChIInChI=1S/C26H37N3O3/c1-20-24(30-2)12-11-21(26(20)32-4)18-27-13-7-8-22(19-27)28-14-16-29(17-15-28)23-9-5-6-10-25(23)31-3/h5-6,9-12,22H,7-8,13-19H2,1-4H3
InChIKeyQKYJEHJWRMHQLK-UHFFFAOYSA-N
XLogP3.81
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 45215133) is 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C2CCCN(Cc3ccc(OC)c(C)c3OC)C2)CC1.
What is the InChIKey of 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is QKYJEHJWRMHQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-20-24(30-2)12-11-21(26(20)32-4)18-27-13-7-8-22(19-27)28-14-16-29(17-15-28)23-9-5-6-10-25(23)31-3/h5-6,9-12,22H,7-8,13-19H2,1-4H3.
What are the key properties of 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 439.60 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 45215133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).