4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine

C16H25NO — CID 82480025

IUPAC4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
SMILESCOCC1(c2ccc(C(C)C)cc2)CCNCC1
InChIInChI=1S/C16H25NO/c1-13(2)14-4-6-15(7-5-14)16(12-18-3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3
InChIKeyNQTHQZVOFOBSPF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds4

About 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine

4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine (PubChem CID 82480025) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
PubChem CID82480025
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
SMILESCOCC1(c2ccc(C(C)C)cc2)CCNCC1
InChIInChI=1S/C16H25NO/c1-13(2)14-4-6-15(7-5-14)16(12-18-3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3
InChIKeyNQTHQZVOFOBSPF-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine (CID 82480025) is 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine is COCC1(c2ccc(C(C)C)cc2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine?
The InChIKey is NQTHQZVOFOBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)14-4-6-15(7-5-14)16(12-18-3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine?
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 82480025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).