2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride

C16H26ClN3O — CID 119920938

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-12-5-3-4-6-15(12)18-16(20)11-19-9-7-14(8-10-19)13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3,(H,18,20);1H
InChIKeyQFUDZTOCYURIHE-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride (PubChem CID 119920938) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
PubChem CID119920938
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
SMILESCc1ccccc1NC(=O)CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-12-5-3-4-6-15(12)18-16(20)11-19-9-7-14(8-10-19)13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3,(H,18,20);1H
InChIKeyQFUDZTOCYURIHE-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119920864
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63595023
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride (CID 119920938) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride is Cc1ccccc1NC(=O)CN1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride?
The InChIKey is QFUDZTOCYURIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-12-5-3-4-6-15(12)18-16(20)11-19-9-7-14(8-10-19)13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119920938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).