N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine

C13H23ClN4 — CID 114503529

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1nn(C)c(CNC2CCN(C)CC2C)c1Cl
InChIInChI=1S/C13H23ClN4/c1-9-8-17(3)6-5-11(9)15-7-12-13(14)10(2)16-18(12)4/h9,11,15H,5-8H2,1-4H3
InChIKeyQCAUFAUQOWHEBE-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.81
Rot. Bonds3

About N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 114503529) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID114503529
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCc1nn(C)c(CNC2CCN(C)CC2C)c1Cl
InChIInChI=1S/C13H23ClN4/c1-9-8-17(3)6-5-11(9)15-7-12-13(14)10(2)16-18(12)4/h9,11,15H,5-8H2,1-4H3
InChIKeyQCAUFAUQOWHEBE-UHFFFAOYSA-N
XLogP1.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine (CID 114503529) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine is Cc1nn(C)c(CNC2CCN(C)CC2C)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is QCAUFAUQOWHEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-9-8-17(3)6-5-11(9)15-7-12-13(14)10(2)16-18(12)4/h9,11,15H,5-8H2,1-4H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 270.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114503529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).