[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

C17H26N2O — CID 63765556

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCCC(CCN)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-9-13(2)16(14(3)10-12)17(20)19-8-4-5-15(11-19)6-7-18/h9-10,15H,4-8,11,18H2,1-3H3
InChIKeyVFPNNIPSFDPVLZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 63765556) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID63765556
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCCC(CCN)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-9-13(2)16(14(3)10-12)17(20)19-8-4-5-15(11-19)6-7-18/h9-10,15H,4-8,11,18H2,1-3H3
InChIKeyVFPNNIPSFDPVLZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-aminoethyl)piperidin-1-yl]-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 117044955
[3-(2-aminoethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 120727697
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (CID 63765556) is [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CCCC(CCN)C2)c(C)c1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is VFPNNIPSFDPVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-9-13(2)16(14(3)10-12)17(20)19-8-4-5-15(11-19)6-7-18/h9-10,15H,4-8,11,18H2,1-3H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 274.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 63765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).