1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine

C22H30N2O2 — CID 2845444

IUPAC1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H30N2O2/c1-18(15-20-9-10-21(25-2)16-22(20)26-3)24-13-11-23(12-14-24)17-19-7-5-4-6-8-19/h4-10,16,18H,11-15,17H2,1-3H3
InChIKeyAUBXBUBULXKDTC-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.45
Rot. Bonds7

About 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine

1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine (PubChem CID 2845444) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine
PubChem CID2845444
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H30N2O2/c1-18(15-20-9-10-21(25-2)16-22(20)26-3)24-13-11-23(12-14-24)17-19-7-5-4-6-8-19/h4-10,16,18H,11-15,17H2,1-3H3
InChIKeyAUBXBUBULXKDTC-UHFFFAOYSA-N
XLogP3.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Lomerizine
CID 3949
CP-100263
CID 9796216
CP-99994
CID 5311057
Bis(2,4-dimethoxybenzyl)amine
CID 88696
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
LOMERIZINE DiHCl
CID 13579832
3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947573
(3,5-Dimethoxybenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846577
Cambridge id 5430595
CID 783532

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine (CID 2845444) is 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine is COc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine?
The InChIKey is AUBXBUBULXKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(15-20-9-10-21(25-2)16-22(20)26-3)24-13-11-23(12-14-24)17-19-7-5-4-6-8-19/h4-10,16,18H,11-15,17H2,1-3H3.
What are the key properties of 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine?
1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(2,4-dimethoxyphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 2845444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).