[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine

C17H31N3O — CID 54098461

IUPAC[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
SMILESCC.CN.CN(C)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O.C2H6.CH5N/c1-15(2)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12;2*1-2/h3-7,13H,8-11H2,1-2H3;1-2H3;2H2,1H3
InChIKeyMYVJDVFASKAYPX-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.45
Rot. Bonds2

About [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine

[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine (PubChem CID 54098461) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
PubChem CID54098461
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
SMILESCC.CN.CN(C)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O.C2H6.CH5N/c1-15(2)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12;2*1-2/h3-7,13H,8-11H2,1-2H3;1-2H3;2H2,1H3
InChIKeyMYVJDVFASKAYPX-UHFFFAOYSA-N
XLogP2.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
[4-(dimethylamino)piperidin-1-yl]-(2-hydrazinylphenyl)methanone
CID 62243252
(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 103890281
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
(1R,2S,4S)-N-(1-benzoylpiperidin-4-yl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98136344

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine (CID 54098461) is [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine is CC.CN.CN(C)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine?
The InChIKey is MYVJDVFASKAYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H6.CH5N/c1-15(2)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12;2*1-2/h3-7,13H,8-11H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine?
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine has a molecular weight of 293.46 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine is sourced from PubChem (CID 54098461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).