N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine

C22H33N5O — CID 31104507

IUPACN-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(N(C)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C22H33N5O/c1-19-23-9-12-27(19)22-5-3-21(4-6-22)26-10-7-20(8-11-26)24(2)13-14-25-15-17-28-18-16-25/h3-6,9,12,20H,7-8,10-11,13-18H2,1-2H3
InChIKeyLGLNJDNUEQFVGR-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.41
Rot. Bonds6

About N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine

N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 31104507) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID31104507
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCc1nccn1-c1ccc(N2CCC(N(C)CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C22H33N5O/c1-19-23-9-12-27(19)22-5-3-21(4-6-22)26-10-7-20(8-11-26)24(2)13-14-25-15-17-28-18-16-25/h3-6,9,12,20H,7-8,10-11,13-18H2,1-2H3
InChIKeyLGLNJDNUEQFVGR-UHFFFAOYSA-N
XLogP2.41
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 31104507) is N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine is Cc1nccn1-c1ccc(N2CCC(N(C)CCN3CCOCC3)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is LGLNJDNUEQFVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-19-23-9-12-27(19)22-5-3-21(4-6-22)26-10-7-20(8-11-26)24(2)13-14-25-15-17-28-18-16-25/h3-6,9,12,20H,7-8,10-11,13-18H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 383.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 31104507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).