2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine

C16H25NO — CID 117371935

IUPAC2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
SMILESCOC(C)Cc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(18-2)11-14-6-8-15(9-7-14)12-16-5-3-4-10-17-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyUJQUPWZNINVOGH-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.95
Rot. Bonds5

About 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine

2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine (PubChem CID 117371935) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
PubChem CID117371935
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
SMILESCOC(C)Cc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-13(18-2)11-14-6-8-15(9-7-14)12-16-5-3-4-10-17-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyUJQUPWZNINVOGH-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine (CID 117371935) is 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine is COC(C)Cc1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine?
The InChIKey is UJQUPWZNINVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18-2)11-14-6-8-15(9-7-14)12-16-5-3-4-10-17-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine?
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).