2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate

C20H30N2O3 — CID 6733175

IUPAC2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOc1ccccc1CCOC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H30N2O3/c1-24-19-8-4-3-7-17(19)11-16-25-20(23)22-14-9-18(10-15-22)21-12-5-2-6-13-21/h3-4,7-8,18H,2,5-6,9-16H2,1H3
InChIKeyYKSWQMPJCBQYMU-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.32
Rot. Bonds5

About 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate

2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 6733175) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID6733175
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOc1ccccc1CCOC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H30N2O3/c1-24-19-8-4-3-7-17(19)11-16-25-20(23)22-14-9-18(10-15-22)21-12-5-2-6-13-21/h3-4,7-8,18H,2,5-6,9-16H2,1H3
InChIKeyYKSWQMPJCBQYMU-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate
CID 164909292
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
ethyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45246994
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
ethyl 4-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209996
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate (CID 6733175) is 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate is COc1ccccc1CCOC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is YKSWQMPJCBQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-19-8-4-3-7-17(19)11-16-25-20(23)22-14-9-18(10-15-22)21-12-5-2-6-13-21/h3-4,7-8,18H,2,5-6,9-16H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate?
2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethyl 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 6733175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).