[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine

C14H26N4 — CID 112669983

IUPAC[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine
SMILESCCc1nn(C)cc1CN1C(C)CCCC1CN
InChIInChI=1S/C14H26N4/c1-4-14-12(9-17(3)16-14)10-18-11(2)6-5-7-13(18)8-15/h9,11,13H,4-8,10,15H2,1-3H3
InChIKeyPLPLGHYIDVIRLO-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.68
Rot. Bonds4

About [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine

[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine (PubChem CID 112669983) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine
PubChem CID112669983
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine
SMILESCCc1nn(C)cc1CN1C(C)CCCC1CN
InChIInChI=1S/C14H26N4/c1-4-14-12(9-17(3)16-14)10-18-11(2)6-5-7-13(18)8-15/h9,11,13H,4-8,10,15H2,1-3H3
InChIKeyPLPLGHYIDVIRLO-UHFFFAOYSA-N
XLogP1.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 82868582
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine
CID 80663933
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine (CID 112669983) is [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine is CCc1nn(C)cc1CN1C(C)CCCC1CN.
What is the InChIKey of [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The InChIKey is PLPLGHYIDVIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-14-12(9-17(3)16-14)10-18-11(2)6-5-7-13(18)8-15/h9,11,13H,4-8,10,15H2,1-3H3.
What are the key properties of [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 112669983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).