(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate

C23H23NO3 — CID 167315987

IUPAC(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H23NO3/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)27-23(12-14-24-15-13-23)20-8-2-1-3-9-20/h1-11,16,24H,12-15,17H2
InChIKeyOXYZSUFALXQWJP-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.04
Rot. Bonds5

About (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate

(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate (PubChem CID 167315987) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate
PubChem CID167315987
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate
SMILESO=C(COc1ccc2ccccc2c1)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H23NO3/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)27-23(12-14-24-15-13-23)20-8-2-1-3-9-20/h1-11,16,24H,12-15,17H2
InChIKeyOXYZSUFALXQWJP-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-4-yl) 2-(4-nitrophenoxy)acetate
CID 167316087
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
(4-phenylpiperidin-4-yl) 15-hydroxypentadecanoate
CID 167314891
(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
CID 167314999
(4-phenylpiperidin-4-yl) 5-phenylpentanoate
CID 167316142
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 167316198

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate (CID 167315987) is (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate is O=C(COc1ccc2ccccc2c1)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate?
The InChIKey is OXYZSUFALXQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-22(17-26-21-11-10-18-6-4-5-7-19(18)16-21)27-23(12-14-24-15-13-23)20-8-2-1-3-9-20/h1-11,16,24H,12-15,17H2.
What are the key properties of (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate?
(4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate has a molecular weight of 361.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 167315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).