1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine

C20H22N2S — CID 5112017

IUPAC1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
SMILESCc1csc(C(c2cccc3ccccc23)N2CCNCC2)c1
InChIInChI=1S/C20H22N2S/c1-15-13-19(23-14-15)20(22-11-9-21-10-12-22)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14,20-21H,9-12H2,1H3
InChIKeyUJDOKKZGSYIBQO-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.20
Rot. Bonds3

About 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine

1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine (PubChem CID 5112017) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
PubChem CID5112017
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
SMILESCc1csc(C(c2cccc3ccccc23)N2CCNCC2)c1
InChIInChI=1S/C20H22N2S/c1-15-13-19(23-14-15)20(22-11-9-21-10-12-22)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14,20-21H,9-12H2,1H3
InChIKeyUJDOKKZGSYIBQO-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
CID 3304093
1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 4574201
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3657426
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3747633
1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3663776
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3730605
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The IUPAC name of 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine (CID 5112017) is 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine.
What is the SMILES notation for 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The canonical SMILES for 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine is Cc1csc(C(c2cccc3ccccc23)N2CCNCC2)c1.
What is the InChIKey of 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The InChIKey is UJDOKKZGSYIBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15-13-19(23-14-15)20(22-11-9-21-10-12-22)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14,20-21H,9-12H2,1H3.
What are the key properties of 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine has a molecular weight of 322.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine is sourced from PubChem (CID 5112017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).