4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine

C18H29NO2 — CID 173218822

IUPAC4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine
SMILESCOc1cc(CC(C)C)ccc1OC(C)C1CCNCC1
InChIInChI=1S/C18H29NO2/c1-13(2)11-15-5-6-17(18(12-15)20-4)21-14(3)16-7-9-19-10-8-16/h5-6,12-14,16,19H,7-11H2,1-4H3
InChIKeyOMOQUAJOXZQIEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds6

About 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine

4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine (PubChem CID 173218822) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine
PubChem CID173218822
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine
SMILESCOc1cc(CC(C)C)ccc1OC(C)C1CCNCC1
InChIInChI=1S/C18H29NO2/c1-13(2)11-15-5-6-17(18(12-15)20-4)21-14(3)16-7-9-19-10-8-16/h5-6,12-14,16,19H,7-11H2,1-4H3
InChIKeyOMOQUAJOXZQIEZ-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
2-(5-ethyl-2-methoxyphenyl)-2-piperidin-4-ylethanol
CID 116825161
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine (CID 173218822) is 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine is COc1cc(CC(C)C)ccc1OC(C)C1CCNCC1.
What is the InChIKey of 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine?
The InChIKey is OMOQUAJOXZQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)11-15-5-6-17(18(12-15)20-4)21-14(3)16-7-9-19-10-8-16/h5-6,12-14,16,19H,7-11H2,1-4H3.
What are the key properties of 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine?
4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 173218822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).