(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one

C16H21NO — CID 5371862

IUPAC(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESCC1CCCC(C)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO/c1-13-7-6-8-14(2)17(13)16(18)12-11-15-9-4-3-5-10-15/h3-5,9-14H,6-8H2,1-2H3/b12-11+
InChIKeyVTBRAQMXYIIONS-VAWYXSNFSA-N
MW243.35 g/mol
LogP3.49
Rot. Bonds2

About (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 5371862) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID5371862
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
SMILESCC1CCCC(C)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO/c1-13-7-6-8-14(2)17(13)16(18)12-11-15-9-4-3-5-10-15/h3-5,9-14H,6-8H2,1-2H3/b12-11+
InChIKeyVTBRAQMXYIIONS-VAWYXSNFSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-bromophenyl)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]prop-2-en-1-one
CID 27511781
(E)-3-(3,4-dichlorophenyl)-1-(2,6-dimethylpiperidin-1-yl)prop-2-en-1-one
CID 6016233
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylprop-2-en-1-one
CID 61234050
(E)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylprop-2-en-1-one
CID 122255198
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 77015493
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
(E)-1-[2-(4-methylcyclohexyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 110184789
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 171156673
1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 61295900
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
(E)-3-phenyl-1-(3-phenylazepan-1-yl)prop-2-en-1-one
CID 90608464
1-(2,2-dimethylaziridin-1-yl)-3-phenylprop-2-en-1-one
CID 85352934

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one (CID 5371862) is (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one is CC1CCCC(C)N1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is VTBRAQMXYIIONS-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO/c1-13-7-6-8-14(2)17(13)16(18)12-11-15-9-4-3-5-10-15/h3-5,9-14H,6-8H2,1-2H3/b12-11+.
What are the key properties of (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5371862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).