2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C15H22ClN3O — CID 10017425

IUPAC2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESNC(CNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-13-6-4-12(5-7-13)10-18-11-14(17)15(20)19-8-2-1-3-9-19/h4-7,14,18H,1-3,8-11,17H2
InChIKeyRVXGUDFYCUQKPJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 10017425) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID10017425
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESNC(CNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c16-13-6-4-12(5-7-13)10-18-11-14(17)15(20)19-8-2-1-3-9-19/h4-7,14,18H,1-3,8-11,17H2
InChIKeyRVXGUDFYCUQKPJ-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 10017425) is 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is NC(CNCc1ccc(Cl)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is RVXGUDFYCUQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-13-6-4-12(5-7-13)10-18-11-14(17)15(20)19-8-2-1-3-9-19/h4-7,14,18H,1-3,8-11,17H2.
What are the key properties of 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 295.81 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10017425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).