1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine

C27H28N2OS — CID 174316421

IUPAC1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
SMILESCc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1
InChIInChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3
InChIKeyNWLQXUKGYBRYLD-UHFFFAOYSA-N
MW428.60 g/mol
LogP6.13
Rot. Bonds5

About 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine (PubChem CID 174316421) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
PubChem CID174316421
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC Name1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
SMILESCc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1
InChIInChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3
InChIKeyNWLQXUKGYBRYLD-UHFFFAOYSA-N
XLogP6.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 174363405
1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
CID 22115744
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 70193466
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 10791125
1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
CID 22115685
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
CID 57197265
2-(4-chlorophenyl)-5-[1-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-1,3,4-oxadiazole
CID 22115704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine (CID 174316421) is 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine is Cc1ccccc1C(Oc1ccc2cccc(N3CCN(C)CC3)c2c1)c1cccs1.
What is the InChIKey of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
The InChIKey is NWLQXUKGYBRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-20-7-3-4-9-23(20)27(26-11-6-18-31-26)30-22-13-12-21-8-5-10-25(24(21)19-22)29-16-14-28(2)15-17-29/h3-13,18-19,27H,14-17H2,1-2H3.
What are the key properties of 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine has a molecular weight of 428.60 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 174316421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).