(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine

C19H32N4O2 — CID 95897800

IUPAC(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine
SMILESC=CCC[C@H](CN(C)CCOC)Oc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C19H32N4O2/c1-4-5-9-17(15-22(2)12-13-24-3)25-19-14-18(20-16-21-19)23-10-7-6-8-11-23/h4,14,16-17H,1,5-13,15H2,2-3H3/t17-/m1/s1
InChIKeyTZWLMNIQZKQUAC-QGZVFWFLSA-N
MW348.49 g/mol
LogP2.76
Rot. Bonds11

About (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine

(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine (PubChem CID 95897800) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine
PubChem CID95897800
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine
SMILESC=CCC[C@H](CN(C)CCOC)Oc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C19H32N4O2/c1-4-5-9-17(15-22(2)12-13-24-3)25-19-14-18(20-16-21-19)23-10-7-6-8-11-23/h4,14,16-17H,1,5-13,15H2,2-3H3/t17-/m1/s1
InChIKeyTZWLMNIQZKQUAC-QGZVFWFLSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine?
The IUPAC name of (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine (CID 95897800) is (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine is C=CCC[C@H](CN(C)CCOC)Oc1cc(N2CCCCC2)ncn1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine?
The InChIKey is TZWLMNIQZKQUAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-5-9-17(15-22(2)12-13-24-3)25-19-14-18(20-16-21-19)23-10-7-6-8-11-23/h4,14,16-17H,1,5-13,15H2,2-3H3/t17-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine?
(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine has a molecular weight of 348.49 g/mol, XLogP of 2.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine is sourced from PubChem (CID 95897800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).