(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine

C17H27N3O — CID 142517637

IUPAC(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine
SMILESC/C=C(\CNC(C)OC1CCN(C)CC1)c1ccccn1
InChIInChI=1S/C17H27N3O/c1-4-15(17-7-5-6-10-18-17)13-19-14(2)21-16-8-11-20(3)12-9-16/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3/b15-4+
InChIKeyBVPJPYXLJLFNRN-SYZQJQIISA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds6

About (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine

(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine (PubChem CID 142517637) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine
PubChem CID142517637
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine
SMILESC/C=C(\CNC(C)OC1CCN(C)CC1)c1ccccn1
InChIInChI=1S/C17H27N3O/c1-4-15(17-7-5-6-10-18-17)13-19-14(2)21-16-8-11-20(3)12-9-16/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3/b15-4+
InChIKeyBVPJPYXLJLFNRN-SYZQJQIISA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
CID 143176394
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea
CID 97434227
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea
CID 118775035
acetylene;2-[(E)-1-(butan-2-ylamino)but-2-en-2-yl]-N-methyl-1,6-naphthyridin-7-amine;ethene;1-methylpiperidine-4-carbaldehyde;toluene
CID 142583988
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine (CID 142517637) is (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine is C/C=C(\CNC(C)OC1CCN(C)CC1)c1ccccn1.
What is the InChIKey of (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine?
The InChIKey is BVPJPYXLJLFNRN-SYZQJQIISA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-15(17-7-5-6-10-18-17)13-19-14(2)21-16-8-11-20(3)12-9-16/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3/b15-4+.
What are the key properties of (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine?
(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine has a molecular weight of 289.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine is sourced from PubChem (CID 142517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).