2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

C20H22Cl2N2O2 — CID 119339061

IUPAC2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15/h1-7,12,16,19H,8-11,13,23H2
InChIKeyIZCQSXYWANLLFC-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (PubChem CID 119339061) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
PubChem CID119339061
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
SMILESNC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15/h1-7,12,16,19H,8-11,13,23H2
InChIKeyIZCQSXYWANLLFC-UHFFFAOYSA-N
XLogP4.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone (CID 119339061) is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is NC(C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
The InChIKey is IZCQSXYWANLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-7-6-14(12-18(17)22)13-26-16-8-10-24(11-9-16)20(25)19(23)15-4-2-1-3-5-15/h1-7,12,16,19H,8-11,13,23H2.
What are the key properties of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone?
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone has a molecular weight of 393.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119339061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).