[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride

C16H25ClN2O — CID 119436172

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCCC2C(C)N)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-7-8-14(12(2)10-11)16(19)18-9-5-4-6-15(18)13(3)17;/h7-8,10,13,15H,4-6,9,17H2,1-3H3;1H
InChIKeyJQOLCOWSWPTBFZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.07
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride (PubChem CID 119436172) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
PubChem CID119436172
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCCCC2C(C)N)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-11-7-8-14(12(2)10-11)16(19)18-9-5-4-6-15(18)13(3)17;/h7-8,10,13,15H,4-6,9,17H2,1-3H3;1H
InChIKeyJQOLCOWSWPTBFZ-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-nitrophenyl)methanone
CID 63255057
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119435814

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride (CID 119436172) is [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCCCC2C(C)N)c(C)c1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride?
The InChIKey is JQOLCOWSWPTBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-11-7-8-14(12(2)10-11)16(19)18-9-5-4-6-15(18)13(3)17;/h7-8,10,13,15H,4-6,9,17H2,1-3H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).