2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one

C17H26N2O — CID 165156803

IUPAC2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccccc1CNC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)17(20)16-7-5-4-6-14(16)12-18-15-8-10-19(3)11-9-15/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyLBFVSNLLIQKJGK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one

2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one (PubChem CID 165156803) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
PubChem CID165156803
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccccc1CNC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)17(20)16-7-5-4-6-14(16)12-18-15-8-10-19(3)11-9-15/h4-7,13,15,18H,8-12H2,1-3H3
InChIKeyLBFVSNLLIQKJGK-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
CID 136514785
2-[[[3,5-bis[(2-carboxyphenyl)methylamino]cyclohexyl]amino]methyl]benzoic acid
CID 102081252
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 172648451
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
(2R)-N-(1-methylpiperidin-4-yl)-2-[2-(2-methylpropyl)phenyl]propanamide
CID 89455243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one (CID 165156803) is 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one is CC(C)C(=O)c1ccccc1CNC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one?
The InChIKey is LBFVSNLLIQKJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)17(20)16-7-5-4-6-14(16)12-18-15-8-10-19(3)11-9-15/h4-7,13,15,18H,8-12H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one?
2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one is sourced from PubChem (CID 165156803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).