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

Name: 1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₃₀N₂OS — CID 143037008

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID	143037008
Molecular Formula	C₁₈H₃₀N₂OS
Molecular Weight	322.52 g/mol
Exact Mass	322.21
IUPAC Name	1-[1-(6-methyl-2H-thiopyran-5-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILES	CC1=C(C(CN2CCNCC2)C2(O)CCCCC2)C=CCS1
InChI	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
InChIKey	VEPCMKYWOHKONX-UHFFFAOYSA-N
XLogP	2.78
TPSA	35.50 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.52
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 143037008 — identifiers, structure, computed properties (public domain)

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