4-[[4-(methoxymethyl)phenyl]methyl]piperidine

C14H21NO — CID 84786985

IUPAC4-[[4-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-11-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyXWOULCIBFXFATF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds4

About 4-[[4-(methoxymethyl)phenyl]methyl]piperidine

4-[[4-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 84786985) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID84786985
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[[4-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-16-11-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyXWOULCIBFXFATF-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 66524896
4-(azepan-4-ylmethyl)phenol
CID 83261604
N-(3-methoxypropyl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
CID 28719184
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(methoxymethyl)phenyl]methyl]piperidine (CID 84786985) is 4-[[4-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(methoxymethyl)phenyl]methyl]piperidine is COCc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is XWOULCIBFXFATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-11-14-4-2-12(3-5-14)10-13-6-8-15-9-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 4-[[4-(methoxymethyl)phenyl]methyl]piperidine?
4-[[4-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 84786985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).