1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid

C17H19NO2 — CID 5212584

IUPAC1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)16-10-3-4-11-18(16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,19,20)
InChIKeyJGGWPEQRXKTLTJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.28
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid

1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 5212584) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
PubChem CID5212584
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc2ccccc12
InChIInChI=1S/C17H19NO2/c19-17(20)16-10-3-4-11-18(16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,19,20)
InChIKeyJGGWPEQRXKTLTJ-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-(1-benzofuran-3-ylmethyl)piperidine-2-carboxylic acid
CID 80702544
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(1-methylindol-3-yl)methyl]azepane-2-carboxylic acid
CID 65069474
(2S)-1-[[4-[3-[[(2S)-2-carboxypyrrolidin-1-yl]methyl]-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methyl]pyrrolidine-2-carboxylic acid;dihydrochloride
CID 24750066
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid (CID 5212584) is 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is JGGWPEQRXKTLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)16-10-3-4-11-18(16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,19,20).
What are the key properties of 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid?
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 5212584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).