N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine

C21H32N4 — CID 45188161

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H32N4/c1-3-25-16-13-22-21(25)18-23(2)20-12-8-15-24(17-20)14-7-11-19-9-5-4-6-10-19/h4-6,9-10,13,16,20H,3,7-8,11-12,14-15,17-18H2,1-2H3
InChIKeyHKOGFGVAPZGRHS-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.43
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine (PubChem CID 45188161) has the molecular formula C21H32N4 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine
PubChem CID45188161
Molecular FormulaC21H32N4
Molecular Weight340.51 g/mol
Exact Mass340.26
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H32N4/c1-3-25-16-13-22-21(25)18-23(2)20-12-8-15-24(17-20)14-7-11-19-9-5-4-6-10-19/h4-6,9-10,13,16,20H,3,7-8,11-12,14-15,17-18H2,1-2H3
InChIKeyHKOGFGVAPZGRHS-UHFFFAOYSA-N
XLogP3.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine (CID 45188161) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine is CCn1ccnc1CN(C)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine?
The InChIKey is HKOGFGVAPZGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-3-25-16-13-22-21(25)18-23(2)20-12-8-15-24(17-20)14-7-11-19-9-5-4-6-10-19/h4-6,9-10,13,16,20H,3,7-8,11-12,14-15,17-18H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine has a molecular weight of 340.51 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-phenylpropyl)piperidin-3-amine is sourced from PubChem (CID 45188161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).