N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

C14H26N4 — CID 79716452

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCCc1cc(CN(C)CC2CCNCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-4-13-9-14(18(3)16-13)11-17(2)10-12-5-7-15-8-6-12/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeyJUULFHFOSFTTIS-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.41
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 79716452) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID79716452
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCCc1cc(CN(C)CC2CCNCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-4-13-9-14(18(3)16-13)11-17(2)10-12-5-7-15-8-6-12/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeyJUULFHFOSFTTIS-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 119932438
4-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N,N-dimethylpiperidine-2-carboxamide
CID 106779974
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
4-ethyl-N,1-dimethyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553053
N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
CID 107173417
1-methyl-5-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632447
1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555024
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
N,6-diethyl-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 79720099
1,4-diethyl-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553023
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (CID 79716452) is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is CCc1cc(CN(C)CC2CCNCC2)n(C)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is JUULFHFOSFTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-13-9-14(18(3)16-13)11-17(2)10-12-5-7-15-8-6-12/h9,12,15H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79716452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).