1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

C18H30N2OS — CID 143037008

IUPAC1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCC1=C(C(CN2CCNCC2)C2(O)CCCCC2)C=CCS1
InChIInChI=1S/C18H30N2OS/c1-15-16(6-5-13-22-15)17(14-20-11-9-19-10-12-20)18(21)7-3-2-4-8-18/h5-6,17,19,21H,2-4,7-14H2,1H3
InChIKeyVEPCMKYWOHKONX-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037008) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037008
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCC1=C(C(CN2CCNCC2)C2(O)CCCCC2)C=CCS1
InChIInChI=1S/C18H30N2OS/c1-15-16(6-5-13-22-15)17(14-20-11-9-19-10-12-20)18(21)7-3-2-4-8-18/h5-6,17,19,21H,2-4,7-14H2,1H3
InChIKeyVEPCMKYWOHKONX-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E,3Z)-6-chloro-4-methylidene-1-piperazin-1-yl-3-(prop-2-enylsulfanylmethylidene)oct-5-en-2-yl]cyclohexan-1-ol
CID 143036735
1-[1-(6-Ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037017

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037008) is 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is CC1=C(C(CN2CCNCC2)C2(O)CCCCC2)C=CCS1.
What is the InChIKey of 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is VEPCMKYWOHKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-15-16(6-5-13-22-15)17(14-20-11-9-19-10-12-20)18(21)7-3-2-4-8-18/h5-6,17,19,21H,2-4,7-14H2,1H3.
What are the key properties of 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 322.52 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).