1-methoxy-4-phenoxybenzene;2-methylpiperidine

C19H25NO2 — CID 143435374

IUPAC1-methoxy-4-phenoxybenzene;2-methylpiperidine
SMILESCC1CCCCN1.COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H12O2.C6H13N/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-6-4-2-3-5-7-6/h2-10H,1H3;6-7H,2-5H2,1H3
InChIKeyYIOBJQVDIKKKPN-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.64
Rot. Bonds3

About 1-methoxy-4-phenoxybenzene;2-methylpiperidine

1-methoxy-4-phenoxybenzene;2-methylpiperidine (PubChem CID 143435374) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-methoxy-4-phenoxybenzene;2-methylpiperidine.

Molecular Properties

Compound Name1-methoxy-4-phenoxybenzene;2-methylpiperidine
PubChem CID143435374
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-methoxy-4-phenoxybenzene;2-methylpiperidine
SMILESCC1CCCCN1.COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H12O2.C6H13N/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-6-4-2-3-5-7-6/h2-10H,1H3;6-7H,2-5H2,1H3
InChIKeyYIOBJQVDIKKKPN-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-phenoxyphenyl)-1,4-diazepane
CID 64941712
2-methylpiperidine
CID 7974
(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine
CID 69325142
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
(2S)-2-methylazocane
CID 137404038
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
CID 124938852

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-phenoxybenzene;2-methylpiperidine?
The IUPAC name of 1-methoxy-4-phenoxybenzene;2-methylpiperidine (CID 143435374) is 1-methoxy-4-phenoxybenzene;2-methylpiperidine.
What is the SMILES notation for 1-methoxy-4-phenoxybenzene;2-methylpiperidine?
The canonical SMILES for 1-methoxy-4-phenoxybenzene;2-methylpiperidine is CC1CCCCN1.COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-phenoxybenzene;2-methylpiperidine?
The InChIKey is YIOBJQVDIKKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C6H13N/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-6-4-2-3-5-7-6/h2-10H,1H3;6-7H,2-5H2,1H3.
What are the key properties of 1-methoxy-4-phenoxybenzene;2-methylpiperidine?
1-methoxy-4-phenoxybenzene;2-methylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-phenoxybenzene;2-methylpiperidine is sourced from PubChem (CID 143435374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).