1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid

C20H23NO3 — CID 54848110

IUPAC1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
SMILESC=CCOc1ccc2ccccc2c1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C20H23NO3/c1-2-12-24-19-10-9-15-6-3-4-8-17(15)18(19)14-21-11-5-7-16(13-21)20(22)23/h2-4,6,8-10,16H,1,5,7,11-14H2,(H,22,23)
InChIKeyMYYWZUQVXGBKLW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.70
Rot. Bonds6

About 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid

1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 54848110) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
PubChem CID54848110
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
SMILESC=CCOc1ccc2ccccc2c1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C20H23NO3/c1-2-12-24-19-10-9-15-6-3-4-8-17(15)18(19)14-21-11-5-7-16(13-21)20(22)23/h2-4,6,8-10,16H,1,5,7,11-14H2,(H,22,23)
InChIKeyMYYWZUQVXGBKLW-UHFFFAOYSA-N
XLogP3.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
CID 54848268
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135094948
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
(3S,4S)-3-hydroxy-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 135111768
1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 4313757
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812

Frequently Asked Questions

What is the IUPAC name of 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid (CID 54848110) is 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid is C=CCOc1ccc2ccccc2c1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is MYYWZUQVXGBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-12-24-19-10-9-15-6-3-4-8-17(15)18(19)14-21-11-5-7-16(13-21)20(22)23/h2-4,6,8-10,16H,1,5,7,11-14H2,(H,22,23).
What are the key properties of 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid?
1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).