1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

C20H30N2OS2 — CID 134138438

IUPAC1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
InChIInChI=1S/C20H30N2OS2/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyGTCQGGCMEIGXAN-UHFFFAOYSA-N
MW378.61 g/mol
LogP4.33
Rot. Bonds4

About 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 134138438) has the molecular formula C20H30N2OS2 and a molecular weight of 378.61 g/mol. Its IUPAC name is 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
PubChem CID134138438
Molecular FormulaC20H30N2OS2
Molecular Weight378.61 g/mol
Exact Mass378.18
IUPAC Name1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
InChIInChI=1S/C20H30N2OS2/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
InChIKeyGTCQGGCMEIGXAN-UHFFFAOYSA-N
XLogP4.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 155532148
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (CID 134138438) is 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1.
What is the InChIKey of 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is GTCQGGCMEIGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS2/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3.
What are the key properties of 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 378.61 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 134138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).