(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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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).