2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid

C18H28N2O3 — CID 83983395

IUPAC2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESCCNC(CC1CCN(Cc2ccc(OC)cc2)CC1)C(=O)O
InChIInChI=1S/C18H28N2O3/c1-3-19-17(18(21)22)12-14-8-10-20(11-9-14)13-15-4-6-16(23-2)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3,(H,21,22)
InChIKeyKNPAOLZXRIUVBI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.36
Rot. Bonds8

About 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid

2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 83983395) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid
PubChem CID83983395
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid
SMILESCCNC(CC1CCN(Cc2ccc(OC)cc2)CC1)C(=O)O
InChIInChI=1S/C18H28N2O3/c1-3-19-17(18(21)22)12-14-8-10-20(11-9-14)13-15-4-6-16(23-2)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3,(H,21,22)
InChIKeyKNPAOLZXRIUVBI-UHFFFAOYSA-N
XLogP2.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(ethylamino)propanoic acid
CID 83982571
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983377
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid (CID 83983395) is 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid is CCNC(CC1CCN(Cc2ccc(OC)cc2)CC1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is KNPAOLZXRIUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-19-17(18(21)22)12-14-8-10-20(11-9-14)13-15-4-6-16(23-2)7-5-15/h4-7,14,17,19H,3,8-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid?
2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 320.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 83983395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).