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

C20H30N4 — CID 45245565

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCN(Cc1nccn1C)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H30N4/c1-22-15-12-21-20(22)17-23(2)19-11-7-14-24(16-19)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15,19H,6-7,10-11,13-14,16-17H2,1-2H3
InChIKeyOJSKGFIZXMYPTQ-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.95
Rot. Bonds7

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (PubChem CID 45245565) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
PubChem CID45245565
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
SMILESCN(Cc1nccn1C)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H30N4/c1-22-15-12-21-20(22)17-23(2)19-11-7-14-24(16-19)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15,19H,6-7,10-11,13-14,16-17H2,1-2H3
InChIKeyOJSKGFIZXMYPTQ-UHFFFAOYSA-N
XLogP2.95
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine (CID 45245565) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is CN(Cc1nccn1C)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
The InChIKey is OJSKGFIZXMYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-22-15-12-21-20(22)17-23(2)19-11-7-14-24(16-19)13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15,19H,6-7,10-11,13-14,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine has a molecular weight of 326.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine is sourced from PubChem (CID 45245565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).