1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine

C22H24N2S — CID 3348475

IUPAC1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
SMILESCSc1ccc(C(c2ccc3ccccc3c2)N2CCNCC2)cc1
InChIInChI=1S/C22H24N2S/c1-25-21-10-8-18(9-11-21)22(24-14-12-23-13-15-24)20-7-6-17-4-2-3-5-19(17)16-20/h2-11,16,22-23H,12-15H2,1H3
InChIKeyQOYLUGQQYDKRTH-UHFFFAOYSA-N
MW348.52 g/mol
LogP4.56
Rot. Bonds4

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

1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine (PubChem CID 3348475) has the molecular formula C22H24N2S and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
PubChem CID3348475
Molecular FormulaC22H24N2S
Molecular Weight348.52 g/mol
Exact Mass348.17
IUPAC Name1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
SMILESCSc1ccc(C(c2ccc3ccccc3c2)N2CCNCC2)cc1
InChIInChI=1S/C22H24N2S/c1-25-21-10-8-18(9-11-21)22(24-14-12-23-13-15-24)20-7-6-17-4-2-3-5-19(17)16-20/h2-11,16,22-23H,12-15H2,1H3
InChIKeyQOYLUGQQYDKRTH-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 3960727
1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 4043380
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4585079
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
CID 3816989
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
CID 116946784

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine (CID 3348475) is 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine is CSc1ccc(C(c2ccc3ccccc3c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine?
The InChIKey is QOYLUGQQYDKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S/c1-25-21-10-8-18(9-11-21)22(24-14-12-23-13-15-24)20-7-6-17-4-2-3-5-19(17)16-20/h2-11,16,22-23H,12-15H2,1H3.
What are the key properties of 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine?
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine has a molecular weight of 348.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine is sourced from PubChem (CID 3348475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).