(4-phenylpiperidin-4-yl) 2-chloropropanoate

C14H18ClNO2 — CID 167314944

IUPAC(4-phenylpiperidin-4-yl) 2-chloropropanoate
SMILESCC(Cl)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(17)18-14(7-9-16-10-8-14)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3
InChIKeyOQJGOKCFPUJFBI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.44
Rot. Bonds3

About (4-phenylpiperidin-4-yl) 2-chloropropanoate

(4-phenylpiperidin-4-yl) 2-chloropropanoate (PubChem CID 167314944) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-phenylpiperidin-4-yl) 2-chloropropanoate.

Molecular Properties

Compound Name(4-phenylpiperidin-4-yl) 2-chloropropanoate
PubChem CID167314944
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(4-phenylpiperidin-4-yl) 2-chloropropanoate
SMILESCC(Cl)C(=O)OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H18ClNO2/c1-11(15)13(17)18-14(7-9-16-10-8-14)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3
InChIKeyOQJGOKCFPUJFBI-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
(4-phenylpiperidin-4-yl) 2-phenoxypropanoate
CID 167315051
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2-hydroxyoctanoate
CID 167315335
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
(4-phenylpiperidin-4-yl) 2,4,6-trichlorobenzoate
CID 167316403
(4-phenylpiperidin-4-yl) 4-bromobenzoate
CID 167315681
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
(4-phenylpiperidin-4-yl) 2-[5,8-dimethyl-7-[2-oxo-1-phenyl-2-(4-phenylpiperidin-4-yl)oxyethyl]-1,2,3,4,5,8-hexahydronaphthalen-2-yl]-2-phenylacetate
CID 170256386
ethane;4-methoxy-4-phenylpiperidine
CID 144662797

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-4-yl) 2-chloropropanoate?
The IUPAC name of (4-phenylpiperidin-4-yl) 2-chloropropanoate (CID 167314944) is (4-phenylpiperidin-4-yl) 2-chloropropanoate.
What is the SMILES notation for (4-phenylpiperidin-4-yl) 2-chloropropanoate?
The canonical SMILES for (4-phenylpiperidin-4-yl) 2-chloropropanoate is CC(Cl)C(=O)OC1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-phenylpiperidin-4-yl) 2-chloropropanoate?
The InChIKey is OQJGOKCFPUJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-11(15)13(17)18-14(7-9-16-10-8-14)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3.
What are the key properties of (4-phenylpiperidin-4-yl) 2-chloropropanoate?
(4-phenylpiperidin-4-yl) 2-chloropropanoate has a molecular weight of 267.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-4-yl) 2-chloropropanoate is sourced from PubChem (CID 167314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).