N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine

C13H24N4 — CID 65197375

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
SMILESCc1nn(C)cc1C(C)NC1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-10(13-9-17(4)15-11(13)2)14-12-6-5-7-16(3)8-12/h9-10,12,14H,5-8H2,1-4H3
InChIKeyYLMTWCMZULGBFS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.47
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine (PubChem CID 65197375) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
PubChem CID65197375
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
SMILESCc1nn(C)cc1C(C)NC1CCCN(C)C1
InChIInChI=1S/C13H24N4/c1-10(13-9-17(4)15-11(13)2)14-12-6-5-7-16(3)8-12/h9-10,12,14H,5-8H2,1-4H3
InChIKeyYLMTWCMZULGBFS-UHFFFAOYSA-N
XLogP1.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine (CID 65197375) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine is Cc1nn(C)cc1C(C)NC1CCCN(C)C1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine?
The InChIKey is YLMTWCMZULGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(13-9-17(4)15-11(13)2)14-12-6-5-7-16(3)8-12/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 65197375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).