4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine

C14H29NO — CID 79321513

IUPAC4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine
SMILESCOC(C)(C)CC1(C)CCNCC1C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)12-9-15-8-7-14(12,5)10-13(3,4)16-6/h11-12,15H,7-10H2,1-6H3
InChIKeyXCGRBVFQBYBTOM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds4

About 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine

4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine (PubChem CID 79321513) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine
PubChem CID79321513
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine
SMILESCOC(C)(C)CC1(C)CCNCC1C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)12-9-15-8-7-14(12,5)10-13(3,4)16-6/h11-12,15H,7-10H2,1-6H3
InChIKeyXCGRBVFQBYBTOM-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine?
The IUPAC name of 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine (CID 79321513) is 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine is COC(C)(C)CC1(C)CCNCC1C(C)C.
What is the InChIKey of 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine?
The InChIKey is XCGRBVFQBYBTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)12-9-15-8-7-14(12,5)10-13(3,4)16-6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine?
4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 79321513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).