N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

C25H40N4 — CID 25379756

IUPACN-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1ncc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c1C
InChIInChI=1S/C25H40N4/c1-5-14-29-22(4)25(18-26-29)20-27(6-2)19-23-11-15-28(16-12-23)17-13-24-10-8-7-9-21(24)3/h7-10,18,23H,5-6,11-17,19-20H2,1-4H3
InChIKeyCRKZXFJXYDUYBW-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.69
Rot. Bonds10

About N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 25379756) has the molecular formula C25H40N4 and a molecular weight of 396.62 g/mol. Its IUPAC name is N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID25379756
Molecular FormulaC25H40N4
Molecular Weight396.62 g/mol
Exact Mass396.33
IUPAC NameN-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1ncc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c1C
InChIInChI=1S/C25H40N4/c1-5-14-29-22(4)25(18-26-29)20-27(6-2)19-23-11-15-28(16-12-23)17-13-24-10-8-7-9-21(24)3/h7-10,18,23H,5-6,11-17,19-20H2,1-4H3
InChIKeyCRKZXFJXYDUYBW-UHFFFAOYSA-N
XLogP4.69
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26331444
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26400256
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 45239769
N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 72935541
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (CID 25379756) is N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1ncc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c1C.
What is the InChIKey of N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is CRKZXFJXYDUYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4/c1-5-14-29-22(4)25(18-26-29)20-27(6-2)19-23-11-15-28(16-12-23)17-13-24-10-8-7-9-21(24)3/h7-10,18,23H,5-6,11-17,19-20H2,1-4H3.
What are the key properties of N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 396.62 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 25379756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).