1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine

C24H33N3OS — CID 67714911

IUPAC1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine
SMILESCOc1ccccc1C(C(SC1CCCCC1)c1ccccn1)N1CCNCC1
InChIInChI=1S/C24H33N3OS/c1-28-22-13-6-5-11-20(22)23(27-17-15-25-16-18-27)24(21-12-7-8-14-26-21)29-19-9-3-2-4-10-19/h5-8,11-14,19,23-25H,2-4,9-10,15-18H2,1H3
InChIKeyUCPCMNIAYVXKFJ-UHFFFAOYSA-N
MW411.62 g/mol
LogP4.84
Rot. Bonds7

About 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine

1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine (PubChem CID 67714911) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine
PubChem CID67714911
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC Name1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine
SMILESCOc1ccccc1C(C(SC1CCCCC1)c1ccccn1)N1CCNCC1
InChIInChI=1S/C24H33N3OS/c1-28-22-13-6-5-11-20(22)23(27-17-15-25-16-18-27)24(21-12-7-8-14-26-21)29-19-9-3-2-4-10-19/h5-8,11-14,19,23-25H,2-4,9-10,15-18H2,1H3
InChIKeyUCPCMNIAYVXKFJ-UHFFFAOYSA-N
XLogP4.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
CID 3734748
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
2-piperazin-1-yl-1-pyridin-2-ylpropan-1-amine
CID 116946771
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890125
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
CID 83980176

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine (CID 67714911) is 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine is COc1ccccc1C(C(SC1CCCCC1)c1ccccn1)N1CCNCC1.
What is the InChIKey of 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine?
The InChIKey is UCPCMNIAYVXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-28-22-13-6-5-11-20(22)23(27-17-15-25-16-18-27)24(21-12-7-8-14-26-21)29-19-9-3-2-4-10-19/h5-8,11-14,19,23-25H,2-4,9-10,15-18H2,1H3.
What are the key properties of 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine?
1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine has a molecular weight of 411.62 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 67714911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).