3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine

C16H25NO — CID 55060808

IUPAC3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
SMILESCC(C)c1ccc(COCC2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)16-7-5-14(6-8-16)11-18-12-15-4-3-9-17-10-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyADXSZWWBMUGLLX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds5

About 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine

3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine (PubChem CID 55060808) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
PubChem CID55060808
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
SMILESCC(C)c1ccc(COCC2CCCNC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)16-7-5-14(6-8-16)11-18-12-15-4-3-9-17-10-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3
InChIKeyADXSZWWBMUGLLX-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine?
The IUPAC name of 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine (CID 55060808) is 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine is CC(C)c1ccc(COCC2CCCNC2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine?
The InChIKey is ADXSZWWBMUGLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16-7-5-14(6-8-16)11-18-12-15-4-3-9-17-10-15/h5-8,13,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine?
3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine is sourced from PubChem (CID 55060808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).