3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid

C16H24N2O3 — CID 62019164

IUPAC3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC(N(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-17(2)14-6-8-18(9-7-14)11-13-10-12(16(19)20)4-5-15(13)21-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyRIQKOXTYEDNLEH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds5

About 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid

3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid (PubChem CID 62019164) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
PubChem CID62019164
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CCC(N(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-17(2)14-6-8-18(9-7-14)11-13-10-12(16(19)20)4-5-15(13)21-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyRIQKOXTYEDNLEH-UHFFFAOYSA-N
XLogP1.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 63068446
3-bromo-4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 102767053
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid (CID 62019164) is 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1CN1CCC(N(C)C)CC1.
What is the InChIKey of 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid?
The InChIKey is RIQKOXTYEDNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)14-6-8-18(9-7-14)11-13-10-12(16(19)20)4-5-15(13)21-3/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid?
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid is sourced from PubChem (CID 62019164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).