4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine

C16H25NO — CID 66524896

IUPAC4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
SMILESCC(C)(C)Oc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15-6-4-13(5-7-15)12-14-8-10-17-11-9-14/h4-7,14,17H,8-12H2,1-3H3
InChIKeyNGDCODKURTZYIZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds3

About 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine

4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine (PubChem CID 66524896) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
PubChem CID66524896
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
SMILESCC(C)(C)Oc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15-6-4-13(5-7-15)12-14-8-10-17-11-9-14/h4-7,14,17H,8-12H2,1-3H3
InChIKeyNGDCODKURTZYIZ-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]phenol
CID 158919726
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine (CID 66524896) is 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine is CC(C)(C)Oc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
The InChIKey is NGDCODKURTZYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)18-15-6-4-13(5-7-15)12-14-8-10-17-11-9-14/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine?
4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine is sourced from PubChem (CID 66524896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).