(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine

C14H27N3O — CID 143410644

IUPAC(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine
SMILESC=C(OCC)[C@@H]1CNCCN1C1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-4-18-12(2)14-11-15-7-10-17(14)13-5-8-16(3)9-6-13/h13-15H,2,4-11H2,1,3H3/t14-/m0/s1
InChIKeyGLLWCCDFEZVJLN-AWEZNQCLSA-N
MW253.39 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine

(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine (PubChem CID 143410644) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine
PubChem CID143410644
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine
SMILESC=C(OCC)[C@@H]1CNCCN1C1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-4-18-12(2)14-11-15-7-10-17(14)13-5-8-16(3)9-6-13/h13-15H,2,4-11H2,1,3H3/t14-/m0/s1
InChIKeyGLLWCCDFEZVJLN-AWEZNQCLSA-N
XLogP0.90
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(1-Methylpiperidin-4-yl)oxy-1,2,3,6-tetrahydropyridin-3-amine
CID 123798637
(2S)-2-(1-ethoxyethenyl)-4-methyl-1-piperidin-4-ylpiperazine
CID 143410676
3-(1-Ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine
CID 143410714
N,1-dimethyl-N-(morpholin-3-ylmethyl)piperidin-4-amine
CID 65517896
N,N-dimethyl-1-(morpholin-3-ylmethyl)piperidin-4-amine
CID 65546095
1-ethyl-N-methyl-N-(morpholin-3-ylmethyl)piperidin-4-amine
CID 65548705
1-methyl-N-(morpholin-3-ylmethyl)piperidin-4-amine
CID 115237906
3-[(4-Methylidenepiperidin-1-yl)methyl]morpholine
CID 130765910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine (CID 143410644) is (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine is C=C(OCC)[C@@H]1CNCCN1C1CCN(C)CC1.
What is the InChIKey of (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is GLLWCCDFEZVJLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-18-12(2)14-11-15-7-10-17(14)13-5-8-16(3)9-6-13/h13-15H,2,4-11H2,1,3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine?
(2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 253.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethoxyethenyl)-1-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 143410644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).