1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine

C24H32N2O2S — CID 10409457

IUPAC1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine
SMILESCOc1ccccc1N1CCN(CCSC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H32N2O2S/c1-27-22-11-5-8-20-19(22)7-6-12-24(20)29-18-17-25-13-15-26(16-14-25)21-9-3-4-10-23(21)28-2/h3-5,8-11,24H,6-7,12-18H2,1-2H3
InChIKeyXMEWZTDTPHMFTH-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine

1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine (PubChem CID 10409457) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine
PubChem CID10409457
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine
SMILESCOc1ccccc1N1CCN(CCSC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H32N2O2S/c1-27-22-11-5-8-20-19(22)7-6-12-24(20)29-18-17-25-13-15-26(16-14-25)21-9-3-4-10-23(21)28-2/h3-5,8-11,24H,6-7,12-18H2,1-2H3
InChIKeyXMEWZTDTPHMFTH-UHFFFAOYSA-N
XLogP4.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine (CID 10409457) is 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine is COc1ccccc1N1CCN(CCSC2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine?
The InChIKey is XMEWZTDTPHMFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-27-22-11-5-8-20-19(22)7-6-12-24(20)29-18-17-25-13-15-26(16-14-25)21-9-3-4-10-23(21)28-2/h3-5,8-11,24H,6-7,12-18H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine?
1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine has a molecular weight of 412.60 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfanyl]ethyl]piperazine is sourced from PubChem (CID 10409457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).