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

C19H37NO — CID 139501604

IUPAC4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCC(COC1CCC(C(C)(C)C)CC1)C1CCN(C)CC1
InChIInChI=1S/C19H37NO/c1-15(16-10-12-20(5)13-11-16)14-21-18-8-6-17(7-9-18)19(2,3)4/h15-18H,6-14H2,1-5H3
InChIKeyZDVKAOAUCUFFPN-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.59
Rot. Bonds4

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

4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine (PubChem CID 139501604) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
PubChem CID139501604
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCC(COC1CCC(C(C)(C)C)CC1)C1CCN(C)CC1
InChIInChI=1S/C19H37NO/c1-15(16-10-12-20(5)13-11-16)14-21-18-8-6-17(7-9-18)19(2,3)4/h15-18H,6-14H2,1-5H3
InChIKeyZDVKAOAUCUFFPN-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine (CID 139501604) is 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine is CC(COC1CCC(C(C)(C)C)CC1)C1CCN(C)CC1.
What is the InChIKey of 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
The InChIKey is ZDVKAOAUCUFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(16-10-12-20(5)13-11-16)14-21-18-8-6-17(7-9-18)19(2,3)4/h15-18H,6-14H2,1-5H3.
What are the key properties of 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine?
4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine has a molecular weight of 295.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 139501604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).