4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine

C19H37NO — CID 134184055

IUPAC4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCN1CCC(C(C)(C)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-18(2,3)15-7-9-17(10-8-15)21-19(4,5)16-11-13-20(6)14-12-16/h15-17H,7-14H2,1-6H3
InChIKeyVRLIBBHGNITEBV-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.73
Rot. Bonds3

About 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine

4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine (PubChem CID 134184055) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
PubChem CID134184055
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCN1CCC(C(C)(C)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37NO/c1-18(2,3)15-7-9-17(10-8-15)21-19(4,5)16-11-13-20(6)14-12-16/h15-17H,7-14H2,1-6H3
InChIKeyVRLIBBHGNITEBV-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine (CID 134184055) is 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine is CN1CCC(C(C)(C)OC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The InChIKey is VRLIBBHGNITEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-18(2,3)15-7-9-17(10-8-15)21-19(4,5)16-11-13-20(6)14-12-16/h15-17H,7-14H2,1-6H3.
What are the key properties of 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine has a molecular weight of 295.51 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 134184055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).