4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine

C18H27NO2 — CID 117467793

IUPAC4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
SMILESCOc1ccc(C2CCOCC2)cc1CC1CCNCC1
InChIInChI=1S/C18H27NO2/c1-20-18-3-2-16(15-6-10-21-11-7-15)13-17(18)12-14-4-8-19-9-5-14/h2-3,13-15,19H,4-12H2,1H3
InChIKeyGOYYLAXWJVBKBU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.13
Rot. Bonds4

About 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine

4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine (PubChem CID 117467793) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
PubChem CID117467793
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
SMILESCOc1ccc(C2CCOCC2)cc1CC1CCNCC1
InChIInChI=1S/C18H27NO2/c1-20-18-3-2-16(15-6-10-21-11-7-15)13-17(18)12-14-4-8-19-9-5-14/h2-3,13-15,19H,4-12H2,1H3
InChIKeyGOYYLAXWJVBKBU-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[2-methoxy-5-(oxolan-3-yl)phenyl]piperidine
CID 117408137
4-[(2-methoxy-5-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117438941
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
CID 117464172
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine (CID 117467793) is 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine is COc1ccc(C2CCOCC2)cc1CC1CCNCC1.
What is the InChIKey of 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine?
The InChIKey is GOYYLAXWJVBKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-18-3-2-16(15-6-10-21-11-7-15)13-17(18)12-14-4-8-19-9-5-14/h2-3,13-15,19H,4-12H2,1H3.
What are the key properties of 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine?
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117467793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).