1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

C19H21NO3 — CID 3912866

IUPAC1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H21NO3/c21-19(22)16-10-12-20(13-11-16)14-15-6-8-18(9-7-15)23-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,21,22)
InChIKeyMILZGGWTNPNECZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.78
Rot. Bonds5

About 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3912866) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3912866
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H21NO3/c21-19(22)16-10-12-20(13-11-16)14-15-6-8-18(9-7-15)23-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,21,22)
InChIKeyMILZGGWTNPNECZ-UHFFFAOYSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[[4-(3-bromophenoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 122036328
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid (CID 3912866) is 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is MILZGGWTNPNECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(22)16-10-12-20(13-11-16)14-15-6-8-18(9-7-15)23-17-4-2-1-3-5-17/h1-9,16H,10-14H2,(H,21,22).
What are the key properties of 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3912866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).