N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C15H28N4 — CID 103991912

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-5-14-13(11-19(4)17-14)10-16-12-15(2)6-8-18(3)9-7-15/h11,16H,5-10,12H2,1-4H3
InChIKeyLQLYWPVXBOBDKC-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.80
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 103991912) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID103991912
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCC1(C)CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-5-14-13(11-19(4)17-14)10-16-12-15(2)6-8-18(3)9-7-15/h11,16H,5-10,12H2,1-4H3
InChIKeyLQLYWPVXBOBDKC-UHFFFAOYSA-N
XLogP1.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414949
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103887742
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
CID 115885885
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 115885749

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 103991912) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1CNCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is LQLYWPVXBOBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-14-13(11-19(4)17-14)10-16-12-15(2)6-8-18(3)9-7-15/h11,16H,5-10,12H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103991912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).