1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone

C17H27N3O — CID 56873767

IUPAC1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCCC1c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-18-12-17(21)20-11-5-4-6-16(20)15-9-7-14(8-10-15)13-19(2)3/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyKJBFCGNBQUFPJA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone

1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 56873767) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID56873767
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCCC1c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-18-12-17(21)20-11-5-4-6-16(20)15-9-7-14(8-10-15)13-19(2)3/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyKJBFCGNBQUFPJA-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70738677
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 118772835
5-[3-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 125168640
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone (CID 56873767) is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCCC1c1ccc(CN(C)C)cc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is KJBFCGNBQUFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-12-17(21)20-11-5-4-6-16(20)15-9-7-14(8-10-15)13-19(2)3/h7-10,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 289.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 56873767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).