N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine

C25H38N4O — CID 25286863

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESCCn1ccnc1CN(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C25H38N4O/c1-3-29-15-12-26-25(29)20-28(19-24-9-6-16-30-24)17-22-10-13-27(14-11-22)18-23-8-5-4-7-21(23)2/h4-5,7-8,12,15,22,24H,3,6,9-11,13-14,16-20H2,1-2H3/t24-/m0/s1
InChIKeyQLZITJNDTBHYIJ-DEOSSOPVSA-N
MW410.61 g/mol
LogP4.10
Rot. Bonds9

About N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine (PubChem CID 25286863) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
PubChem CID25286863
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
SMILESCCn1ccnc1CN(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C25H38N4O/c1-3-29-15-12-26-25(29)20-28(19-24-9-6-16-30-24)17-22-10-13-27(14-11-22)18-23-8-5-4-7-21(23)2/h4-5,7-8,12,15,22,24H,3,6,9-11,13-14,16-20H2,1-2H3/t24-/m0/s1
InChIKeyQLZITJNDTBHYIJ-DEOSSOPVSA-N
XLogP4.10
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45202660
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 72881292
3-(2-methylimidazol-1-yl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45173771
1-[4-[[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]thiophen-2-yl]ethanone
CID 45212523
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 45176610
2-(diethylamino)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42557577
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 97286454
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 72927308
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42819785
2-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45193260

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine (CID 25286863) is N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine is CCn1ccnc1CN(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
The InChIKey is QLZITJNDTBHYIJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H38N4O/c1-3-29-15-12-26-25(29)20-28(19-24-9-6-16-30-24)17-22-10-13-27(14-11-22)18-23-8-5-4-7-21(23)2/h4-5,7-8,12,15,22,24H,3,6,9-11,13-14,16-20H2,1-2H3/t24-/m0/s1.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine has a molecular weight of 410.61 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 25286863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).