1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine

C18H29NO2 — CID 135225295

IUPAC1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
SMILESCCOc1cc(CC(C)CN2CCCCC2)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-21-18-13-16(8-9-17(18)20-3)12-15(2)14-19-10-6-5-7-11-19/h8-9,13,15H,4-7,10-12,14H2,1-3H3
InChIKeyUQJQNWBHUNXOCR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds7

About 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine

1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine (PubChem CID 135225295) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
PubChem CID135225295
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine
SMILESCCOc1cc(CC(C)CN2CCCCC2)ccc1OC
InChIInChI=1S/C18H29NO2/c1-4-21-18-13-16(8-9-17(18)20-3)12-15(2)14-19-10-6-5-7-11-19/h8-9,13,15H,4-7,10-12,14H2,1-3H3
InChIKeyUQJQNWBHUNXOCR-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(piperidin-1-ylmethoxy)phenyl]propan-2-amine
CID 170891733
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 72892821
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
(2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 28957254
4-(2-chlorobutyl)-2-ethoxy-1-methoxybenzene
CID 82161430
(2S,3S,5S)-3-amino-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methyl-1-piperidin-1-ylheptan-2-ol;dihydrochloride
CID 11237533
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60961619
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111215044

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine?
The IUPAC name of 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine (CID 135225295) is 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine.
What is the SMILES notation for 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine?
The canonical SMILES for 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine is CCOc1cc(CC(C)CN2CCCCC2)ccc1OC.
What is the InChIKey of 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine?
The InChIKey is UQJQNWBHUNXOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-18-13-16(8-9-17(18)20-3)12-15(2)14-19-10-6-5-7-11-19/h8-9,13,15H,4-7,10-12,14H2,1-3H3.
What are the key properties of 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine?
1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxy-4-methoxyphenyl)-2-methylpropyl]piperidine is sourced from PubChem (CID 135225295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).