1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine

C19H41NO — CID 142483448

IUPAC1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1.CC1CCC(C)(O)CC1
InChIInChI=1S/C9H19N.C8H16O.C2H6/c1-8(2)9-4-6-10(3)7-5-9;1-7-3-5-8(2,9)6-4-7;1-2/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;1-2H3
InChIKeyOBYLQBZSDXNQLX-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.96
Rot. Bonds1

About 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine

1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine (PubChem CID 142483448) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine
PubChem CID142483448
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1.CC1CCC(C)(O)CC1
InChIInChI=1S/C9H19N.C8H16O.C2H6/c1-8(2)9-4-6-10(3)7-5-9;1-7-3-5-8(2,9)6-4-7;1-2/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;1-2H3
InChIKeyOBYLQBZSDXNQLX-UHFFFAOYSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine (CID 142483448) is 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine is CC.CC(C)C1CCN(C)CC1.CC1CCC(C)(O)CC1.
What is the InChIKey of 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is OBYLQBZSDXNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16O.C2H6/c1-8(2)9-4-6-10(3)7-5-9;1-7-3-5-8(2,9)6-4-7;1-2/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine?
1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 299.54 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 142483448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).