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

C17H26N2O — CID 63236552

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-14(17(20)16-7-5-4-6-8-16)19(3)13-15-9-11-18(2)12-10-15/h4-8,14-15H,9-13H2,1-3H3
InChIKeyPUNUTBZNXGPUTD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

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

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one (PubChem CID 63236552) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
PubChem CID63236552
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-14(17(20)16-7-5-4-6-8-16)19(3)13-15-9-11-18(2)12-10-15/h4-8,14-15H,9-13H2,1-3H3
InChIKeyPUNUTBZNXGPUTD-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 60678397

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one (CID 63236552) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
The InChIKey is PUNUTBZNXGPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(17(20)16-7-5-4-6-8-16)19(3)13-15-9-11-18(2)12-10-15/h4-8,14-15H,9-13H2,1-3H3.
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one is sourced from PubChem (CID 63236552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).