1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

C28H40N4O — CID 5115878

IUPAC1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C28H40N4O/c1-33-28-10-6-5-9-27(28)32-21-19-31(20-22-32)26-13-17-30(18-14-26)25-11-15-29(16-12-25)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3
InChIKeyFPPJIQBONJLQSA-UHFFFAOYSA-N
MW448.66 g/mol
LogP3.95
Rot. Bonds6

About 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 5115878) has the molecular formula C28H40N4O and a molecular weight of 448.66 g/mol. Its IUPAC name is 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID5115878
Molecular FormulaC28H40N4O
Molecular Weight448.66 g/mol
Exact Mass448.32
IUPAC Name1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C28H40N4O/c1-33-28-10-6-5-9-27(28)32-21-19-31(20-22-32)26-13-17-30(18-14-26)25-11-15-29(16-12-25)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3
InChIKeyFPPJIQBONJLQSA-UHFFFAOYSA-N
XLogP3.95
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 154883654
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 7111600

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine (CID 5115878) is 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FPPJIQBONJLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O/c1-33-28-10-6-5-9-27(28)32-21-19-31(20-22-32)26-13-17-30(18-14-26)25-11-15-29(16-12-25)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3.
What are the key properties of 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 448.66 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 5115878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).