[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C20H25N3O2 — CID 53319786

IUPAC[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c21-12-15-23-13-10-17(11-14-23)25-20(24)22-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,17H,10-15,21H2,(H,22,24)
InChIKeyNPXZKPMDXMXGDW-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.33
Rot. Bonds5

About [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53319786) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53319786
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c21-12-15-23-13-10-17(11-14-23)25-20(24)22-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,17H,10-15,21H2,(H,22,24)
InChIKeyNPXZKPMDXMXGDW-UHFFFAOYSA-N
XLogP3.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53319786) is [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is NPXZKPMDXMXGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-12-15-23-13-10-17(11-14-23)25-20(24)22-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,17H,10-15,21H2,(H,22,24).
What are the key properties of [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 339.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).