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

C20H30N4 — CID 45240208

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H30N4/c1-3-24-15-12-21-20(24)17-22(2)19-10-7-13-23(16-19)14-11-18-8-5-4-6-9-18/h4-6,8-9,12,15,19H,3,7,10-11,13-14,16-17H2,1-2H3
InChIKeyJHVVAEVOXQPRND-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.04
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine (PubChem CID 45240208) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
PubChem CID45240208
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C20H30N4/c1-3-24-15-12-21-20(24)17-22(2)19-10-7-13-23(16-19)14-11-18-8-5-4-6-9-18/h4-6,8-9,12,15,19H,3,7,10-11,13-14,16-17H2,1-2H3
InChIKeyJHVVAEVOXQPRND-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine (CID 45240208) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine is CCn1ccnc1CN(C)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
The InChIKey is JHVVAEVOXQPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-24-15-12-21-20(24)17-22(2)19-10-7-13-23(16-19)14-11-18-8-5-4-6-9-18/h4-6,8-9,12,15,19H,3,7,10-11,13-14,16-17H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine has a molecular weight of 326.49 g/mol, XLogP of 3.04, 7 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-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45240208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).