1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol

C19H37NO — CID 155228741

IUPAC1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)C1CCN(CC(C)(C)C2CCC(C)(O)CC2)CC1
InChIInChI=1S/C19H37NO/c1-15(2)16-8-12-20(13-9-16)14-18(3,4)17-6-10-19(5,21)11-7-17/h15-17,21H,6-14H2,1-5H3
InChIKeyZRWOBLNGWZCIGL-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.32
Rot. Bonds4

About 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol

1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol (PubChem CID 155228741) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol
PubChem CID155228741
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)C1CCN(CC(C)(C)C2CCC(C)(O)CC2)CC1
InChIInChI=1S/C19H37NO/c1-15(2)16-8-12-20(13-9-16)14-18(3,4)17-6-10-19(5,21)11-7-17/h15-17,21H,6-14H2,1-5H3
InChIKeyZRWOBLNGWZCIGL-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol (CID 155228741) is 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol is CC(C)C1CCN(CC(C)(C)C2CCC(C)(O)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is ZRWOBLNGWZCIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(2)16-8-12-20(13-9-16)14-18(3,4)17-6-10-19(5,21)11-7-17/h15-17,21H,6-14H2,1-5H3.
What are the key properties of 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol?
1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 155228741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).