3-naphthalen-2-ylpiperidine-3-carboxylic acid

C16H17NO2 — CID 117050280

IUPAC3-naphthalen-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccccc3c2)CCCNC1
InChIInChI=1S/C16H17NO2/c18-15(19)16(8-3-9-17-11-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19)
InChIKeyHTZVSBCLGQEXLA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.55
Rot. Bonds2

About 3-naphthalen-2-ylpiperidine-3-carboxylic acid

3-naphthalen-2-ylpiperidine-3-carboxylic acid (PubChem CID 117050280) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-naphthalen-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylpiperidine-3-carboxylic acid
PubChem CID117050280
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-naphthalen-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccccc3c2)CCCNC1
InChIInChI=1S/C16H17NO2/c18-15(19)16(8-3-9-17-11-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19)
InChIKeyHTZVSBCLGQEXLA-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
3-(3-cyanophenyl)piperidine-3-carboxylic acid
CID 117050284
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
CID 82618762
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
CID 174403861
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
cis-(1S,2R)-2-hydroxy-1-naphthalen-2-ylcyclohexane-1-carboxylic acid
CID 68673102
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate
CID 152763635
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-naphthalen-2-ylpiperidine-3-carboxylic acid (CID 117050280) is 3-naphthalen-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-ylpiperidine-3-carboxylic acid is O=C(O)C1(c2ccc3ccccc3c2)CCCNC1.
What is the InChIKey of 3-naphthalen-2-ylpiperidine-3-carboxylic acid?
The InChIKey is HTZVSBCLGQEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(19)16(8-3-9-17-11-16)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19).
What are the key properties of 3-naphthalen-2-ylpiperidine-3-carboxylic acid?
3-naphthalen-2-ylpiperidine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117050280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).