(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

C14H19NO3 — CID 7048458

IUPAC(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyVHKOUIFYHWLPHA-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds4

About (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 7048458) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID7048458
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyVHKOUIFYHWLPHA-CYBMUJFWSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[[4-(3-methylbutoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036587
1-[(4-propoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
CID 82183381
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 7048458) is (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(CN2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is VHKOUIFYHWLPHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 7048458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).