4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid

C17H25ClN2O3 — CID 68630018

IUPAC4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid
SMILESCN(C)CCOC(c1ccc(Cl)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)11-12-23-16(13-3-5-15(18)6-4-13)14-7-9-20(10-8-14)17(21)22/h3-6,14,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyVQJOTLSGAGSTKC-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.35
Rot. Bonds6

About 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid

4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 68630018) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid
PubChem CID68630018
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid
SMILESCN(C)CCOC(c1ccc(Cl)cc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)11-12-23-16(13-3-5-15(18)6-4-13)14-7-9-20(10-8-14)17(21)22/h3-6,14,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyVQJOTLSGAGSTKC-UHFFFAOYSA-N
XLogP3.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(4-chlorophenyl)-(2-methoxy-2-oxoethoxy)methyl]piperidine-1-carboxylate
CID 71072832
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
CID 66862259
2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
CID 57141444
3-[(R)-2-aminoethoxy-(3-chloro-5-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 69266324
(3R)-3-[(R)-2-azidoethoxy-(3-chlorophenyl)methyl]piperidine-1-carboxylic acid
CID 141201727
2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
CID 66862558
4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
CID 175299851
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
3-[(4-chlorophenyl)methyl-(3-methoxy-3-oxopropyl)amino]pyrrolidine-1-carboxylic acid
CID 23136967
1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
CID 139592650

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid (CID 68630018) is 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid is CN(C)CCOC(c1ccc(Cl)cc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is VQJOTLSGAGSTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-19(2)11-12-23-16(13-3-5-15(18)6-4-13)14-7-9-20(10-8-14)17(21)22/h3-6,14,16H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid?
4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 340.85 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-[2-(dimethylamino)ethoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68630018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).