piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate

C23H28N2O2 — CID 90872755

IUPACpiperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate
SMILESO=C(OC1CCNCC1)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c26-23(27-22-10-14-24-15-11-22)20-6-8-21(9-7-20)25-16-12-19(13-17-25)18-4-2-1-3-5-18/h1-9,19,22,24H,10-17H2
InChIKeyRQXDRUJVNHWOFB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.98
Rot. Bonds4

About piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate

piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate (PubChem CID 90872755) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate.

Molecular Properties

Compound Namepiperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate
PubChem CID90872755
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namepiperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate
SMILESO=C(OC1CCNCC1)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c26-23(27-22-10-14-24-15-11-22)20-6-8-21(9-7-20)25-16-12-19(13-17-25)18-4-2-1-3-5-18/h1-9,19,22,24H,10-17H2
InChIKeyRQXDRUJVNHWOFB-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate?
The IUPAC name of piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate (CID 90872755) is piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate.
What is the SMILES notation for piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate?
The canonical SMILES for piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate is O=C(OC1CCNCC1)c1ccc(N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate?
The InChIKey is RQXDRUJVNHWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(27-22-10-14-24-15-11-22)20-6-8-21(9-7-20)25-16-12-19(13-17-25)18-4-2-1-3-5-18/h1-9,19,22,24H,10-17H2.
What are the key properties of piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate?
piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate has a molecular weight of 364.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 4-(4-phenylpiperidin-1-yl)benzoate is sourced from PubChem (CID 90872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).