piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate

C19H20ClNO2 — CID 46890850

IUPACpiperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate
SMILESO=C(OCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c20-16-5-3-4-15(12-16)17-6-1-2-7-18(17)19(22)23-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2
InChIKeyNUZHAISLCVBFBN-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.16
Rot. Bonds4

About piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate

piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate (PubChem CID 46890850) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate
PubChem CID46890850
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Namepiperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate
SMILESO=C(OCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c20-16-5-3-4-15(12-16)17-6-1-2-7-18(17)19(22)23-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2
InChIKeyNUZHAISLCVBFBN-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate?
The IUPAC name of piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate (CID 46890850) is piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate.
What is the SMILES notation for piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate?
The canonical SMILES for piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate is O=C(OCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate?
The InChIKey is NUZHAISLCVBFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-16-5-3-4-15(12-16)17-6-1-2-7-18(17)19(22)23-13-14-8-10-21-11-9-14/h1-7,12,14,21H,8-11,13H2.
What are the key properties of piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate?
piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate has a molecular weight of 329.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 2-(3-chlorophenyl)benzoate is sourced from PubChem (CID 46890850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).