3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid

C20H24N2O3 — CID 22127962

IUPAC3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid
SMILESNCc1ccccc1COC1CN(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C20H24N2O3/c21-12-16-8-4-5-9-17(16)14-25-19-13-22(20(23)24)11-10-18(19)15-6-2-1-3-7-15/h1-9,18-19H,10-14,21H2,(H,23,24)
InChIKeyYNVPZQHCRDMRSA-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.20
Rot. Bonds5

About 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid

3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 22127962) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid
PubChem CID22127962
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid
SMILESNCc1ccccc1COC1CN(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C20H24N2O3/c21-12-16-8-4-5-9-17(16)14-25-19-13-22(20(23)24)11-10-18(19)15-6-2-1-3-7-15/h1-9,18-19H,10-14,21H2,(H,23,24)
InChIKeyYNVPZQHCRDMRSA-UHFFFAOYSA-N
XLogP3.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 22127683
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
CID 69224206
4-[3-(hydroxymethyl)phenyl]-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128922
3-[(3-carboxyphenyl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylic acid
CID 68506107
3-[(3-amino-4-bromophenyl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylic acid
CID 68504129

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid (CID 22127962) is 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid is NCc1ccccc1COC1CN(C(=O)O)CCC1c1ccccc1.
What is the InChIKey of 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is YNVPZQHCRDMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-12-16-8-4-5-9-17(16)14-25-19-13-22(20(23)24)11-10-18(19)15-6-2-1-3-7-15/h1-9,18-19H,10-14,21H2,(H,23,24).
What are the key properties of 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid?
3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22127962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).