4-naphthalen-2-yloxypiperidine-1-carboxylic acid

C16H17NO3 — CID 18423340

IUPAC4-naphthalen-2-yloxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H17NO3/c18-16(19)17-9-7-14(8-10-17)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-6,11,14H,7-10H2,(H,18,19)
InChIKeyXHOWXQHVTHLOCG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.36
Rot. Bonds2

About 4-naphthalen-2-yloxypiperidine-1-carboxylic acid

4-naphthalen-2-yloxypiperidine-1-carboxylic acid (PubChem CID 18423340) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-naphthalen-2-yloxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-2-yloxypiperidine-1-carboxylic acid
PubChem CID18423340
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-naphthalen-2-yloxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H17NO3/c18-16(19)17-9-7-14(8-10-17)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-6,11,14H,7-10H2,(H,18,19)
InChIKeyXHOWXQHVTHLOCG-UHFFFAOYSA-N
XLogP3.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
4-(4-chloro-3-hydroxyphenoxy)piperidine-1-carboxylic acid
CID 135387758
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
N-hydroxy-4-(4-naphthalen-2-yloxypiperidin-1-yl)-4-oxo-2-propan-2-ylbutanamide
CID 10293412
4-[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl]oxypiperidine-1-carboxylic acid
CID 118037871
(2R,4S)-2-methyl-4-naphthalen-2-yloxypyrrolidine-1-carboxylic acid
CID 57085839
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
CID 66624899
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
4-(4-chloroquinolin-7-yl)oxypiperidine-1-carboxylic acid
CID 174166454
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CID 121318195

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxypiperidine-1-carboxylic acid?
The IUPAC name of 4-naphthalen-2-yloxypiperidine-1-carboxylic acid (CID 18423340) is 4-naphthalen-2-yloxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-naphthalen-2-yloxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-naphthalen-2-yloxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-naphthalen-2-yloxypiperidine-1-carboxylic acid?
The InChIKey is XHOWXQHVTHLOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)17-9-7-14(8-10-17)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-6,11,14H,7-10H2,(H,18,19).
What are the key properties of 4-naphthalen-2-yloxypiperidine-1-carboxylic acid?
4-naphthalen-2-yloxypiperidine-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxypiperidine-1-carboxylic acid is sourced from PubChem (CID 18423340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).