1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine

C23H26N2O — CID 876499

IUPAC1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-9-5-4-8-22(23)18-25-14-12-24(13-15-25)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3
InChIKeyNGGUKIULEVMQPF-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.17
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine

1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine (PubChem CID 876499) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
PubChem CID876499
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
SMILESCOc1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H26N2O/c1-26-23-9-5-4-8-22(23)18-25-14-12-24(13-15-25)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3
InChIKeyNGGUKIULEVMQPF-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1351397
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine
CID 139810777
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
(2,3-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366104
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine (CID 876499) is 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine is COc1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine?
The InChIKey is NGGUKIULEVMQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-26-23-9-5-4-8-22(23)18-25-14-12-24(13-15-25)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine?
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 876499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).