[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone

C15H21ClN2O — CID 82883937

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC(CCN)CC1
InChIInChI=1S/C15H21ClN2O/c1-11-2-3-13(16)10-14(11)15(19)18-8-5-12(4-7-17)6-9-18/h2-3,10,12H,4-9,17H2,1H3
InChIKeyYYXJMBIMKXSTBX-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.85
Rot. Bonds3

About [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone

[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone (PubChem CID 82883937) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
PubChem CID82883937
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC(CCN)CC1
InChIInChI=1S/C15H21ClN2O/c1-11-2-3-13(16)10-14(11)15(19)18-8-5-12(4-7-17)6-9-18/h2-3,10,12H,4-9,17H2,1H3
InChIKeyYYXJMBIMKXSTBX-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917
(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
[3-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82890430
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887574
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(5-amino-2,4-dimethylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 102705488

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone (CID 82883937) is [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone is Cc1ccc(Cl)cc1C(=O)N1CCC(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone?
The InChIKey is YYXJMBIMKXSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-2-3-13(16)10-14(11)15(19)18-8-5-12(4-7-17)6-9-18/h2-3,10,12H,4-9,17H2,1H3.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone?
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone has a molecular weight of 280.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 82883937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).