1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone

C16H25N3O — CID 43782188

IUPAC1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(CN(C)C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13(20)19-9-7-15(8-10-19)17-16-6-4-5-14(11-16)12-18(2)3/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeyVLAMYTJTLXBNJC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone

1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone (PubChem CID 43782188) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
PubChem CID43782188
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(CN(C)C)c2)CC1
InChIInChI=1S/C16H25N3O/c1-13(20)19-9-7-15(8-10-19)17-16-6-4-5-14(11-16)12-18(2)3/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeyVLAMYTJTLXBNJC-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
tert-butyl 4-[3-[[ethyl(methyl)amino]methyl]anilino]piperidine-1-carboxylate;ethane
CID 143307618
N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
CID 64596213
N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
CID 65080920
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202747
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone (CID 43782188) is 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cccc(CN(C)C)c2)CC1.
What is the InChIKey of 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone?
The InChIKey is VLAMYTJTLXBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(20)19-9-7-15(8-10-19)17-16-6-4-5-14(11-16)12-18(2)3/h4-6,11,15,17H,7-10,12H2,1-3H3.
What are the key properties of 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone?
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43782188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).