3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine

C23H40N4O — CID 24899806

IUPAC3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C23H40N4O/c1-21-5-2-3-12-27(21)13-4-10-24-19-22-6-8-23(9-7-22)20-25-11-14-26-15-17-28-18-16-26/h6-9,21,24-25H,2-5,10-20H2,1H3
InChIKeyUSPGCWWYRVBCCC-UHFFFAOYSA-N
MW388.60 g/mol
LogP2.46
Rot. Bonds11

About 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine

3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 24899806) has the molecular formula C23H40N4O and a molecular weight of 388.60 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID24899806
Molecular FormulaC23H40N4O
Molecular Weight388.60 g/mol
Exact Mass388.32
IUPAC Name3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C23H40N4O/c1-21-5-2-3-12-27(21)13-4-10-24-19-22-6-8-23(9-7-22)20-25-11-14-26-15-17-28-18-16-26/h6-9,21,24-25H,2-5,10-20H2,1H3
InChIKeyUSPGCWWYRVBCCC-UHFFFAOYSA-N
XLogP2.46
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine (CID 24899806) is 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine is CC1CCCCN1CCCNCc1ccc(CNCCN2CCOCC2)cc1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is USPGCWWYRVBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O/c1-21-5-2-3-12-27(21)13-4-10-24-19-22-6-8-23(9-7-22)20-25-11-14-26-15-17-28-18-16-26/h6-9,21,24-25H,2-5,10-20H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 388.60 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-[[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 24899806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).