N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine

C14H26N4 — CID 102550778

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
SMILESCCn1ncc(CN(C)CC2CCCCN2)c1C
InChIInChI=1S/C14H26N4/c1-4-18-12(2)13(9-16-18)10-17(3)11-14-7-5-6-8-15-14/h9,14-15H,4-8,10-11H2,1-3H3
InChIKeyMCKNICNPINFWRX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.79
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine (PubChem CID 102550778) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
PubChem CID102550778
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
SMILESCCn1ncc(CN(C)CC2CCCCN2)c1C
InChIInChI=1S/C14H26N4/c1-4-18-12(2)13(9-16-18)10-17(3)11-14-7-5-6-8-15-14/h9,14-15H,4-8,10-11H2,1-3H3
InChIKeyMCKNICNPINFWRX-UHFFFAOYSA-N
XLogP1.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106614313
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77085902
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine (CID 102550778) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine is CCn1ncc(CN(C)CC2CCCCN2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
The InChIKey is MCKNICNPINFWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-18-12(2)13(9-16-18)10-17(3)11-14-7-5-6-8-15-14/h9,14-15H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 102550778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).