benzhydryl piperazine-1-carboxylate

C18H20N2O2 — CID 69141758

IUPACbenzhydryl piperazine-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H20N2O2/c21-18(20-13-11-19-12-14-20)22-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyNDKQXDZQYPTANR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds3

About benzhydryl piperazine-1-carboxylate

benzhydryl piperazine-1-carboxylate (PubChem CID 69141758) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzhydryl piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzhydryl piperazine-1-carboxylate
PubChem CID69141758
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namebenzhydryl piperazine-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H20N2O2/c21-18(20-13-11-19-12-14-20)22-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyNDKQXDZQYPTANR-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzhydryl piperazine-1-carboxylate?
The IUPAC name of benzhydryl piperazine-1-carboxylate (CID 69141758) is benzhydryl piperazine-1-carboxylate.
What is the SMILES notation for benzhydryl piperazine-1-carboxylate?
The canonical SMILES for benzhydryl piperazine-1-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)N1CCNCC1.
What is the InChIKey of benzhydryl piperazine-1-carboxylate?
The InChIKey is NDKQXDZQYPTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(20-13-11-19-12-14-20)22-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2.
What are the key properties of benzhydryl piperazine-1-carboxylate?
benzhydryl piperazine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl piperazine-1-carboxylate is sourced from PubChem (CID 69141758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).