1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine

C24H33N3O — CID 1148292

IUPAC1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H33N3O/c1-28-24-9-5-8-22(18-24)20-26-14-16-27(17-15-26)23-10-12-25(13-11-23)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19-20H2,1H3
InChIKeySMTVXAWCXUWOBE-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.48
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine

1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 1148292) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID1148292
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H33N3O/c1-28-24-9-5-8-22(18-24)20-26-14-16-27(17-15-26)23-10-12-25(13-11-23)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19-20H2,1H3
InChIKeySMTVXAWCXUWOBE-UHFFFAOYSA-N
XLogP3.48
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 786304
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine (CID 1148292) is 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is SMTVXAWCXUWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-28-24-9-5-8-22(18-24)20-26-14-16-27(17-15-26)23-10-12-25(13-11-23)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19-20H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine?
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 379.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).