1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine

C19H31N3O — CID 75439284

IUPAC1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CC3CCCCN3C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-20-10-4-3-5-18(20)16-22-13-11-21(12-14-22)15-17-6-8-19(23-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyPZGQXMGMJLWFKO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.30
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine

1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine (PubChem CID 75439284) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
PubChem CID75439284
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(CC3CCCCN3C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-20-10-4-3-5-18(20)16-22-13-11-21(12-14-22)15-17-6-8-19(23-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3
InChIKeyPZGQXMGMJLWFKO-UHFFFAOYSA-N
XLogP2.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129
(2R)-2-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrrolidine
CID 143472093
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(1-methylpiperidin-2-yl)propan-1-one
CID 136542621
3-[(4-methoxyphenyl)methyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 110223932

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine (CID 75439284) is 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine is COc1ccc(CN2CCN(CC3CCCCN3C)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine?
The InChIKey is PZGQXMGMJLWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20-10-4-3-5-18(20)16-22-13-11-21(12-14-22)15-17-6-8-19(23-2)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine has a molecular weight of 317.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine is sourced from PubChem (CID 75439284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).