2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine

C19H38N2O — CID 170954051

IUPAC2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
SMILESCCC(C)CC1(C)CN(CC2CCN(C(C)C)CC2)CCO1
InChIInChI=1S/C19H38N2O/c1-6-17(4)13-19(5)15-20(11-12-22-19)14-18-7-9-21(10-8-18)16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyYVWNXQIMIHPJPO-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.63
Rot. Bonds6

About 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine

2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine (PubChem CID 170954051) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
PubChem CID170954051
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
SMILESCCC(C)CC1(C)CN(CC2CCN(C(C)C)CC2)CCO1
InChIInChI=1S/C19H38N2O/c1-6-17(4)13-19(5)15-20(11-12-22-19)14-18-7-9-21(10-8-18)16(2)3/h16-18H,6-15H2,1-5H3
InChIKeyYVWNXQIMIHPJPO-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The IUPAC name of 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine (CID 170954051) is 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine.
What is the SMILES notation for 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The canonical SMILES for 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine is CCC(C)CC1(C)CN(CC2CCN(C(C)C)CC2)CCO1.
What is the InChIKey of 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The InChIKey is YVWNXQIMIHPJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-6-17(4)13-19(5)15-20(11-12-22-19)14-18-7-9-21(10-8-18)16(2)3/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine has a molecular weight of 310.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine is sourced from PubChem (CID 170954051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).