N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C19H30N6 — CID 51105129

IUPACN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N6/c1-15-18(19(23(2)3)24(4)22-15)13-21-16-8-11-25(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,16,21H,8-9,11-14H2,1-4H3
InChIKeyUFAPOXYURYPHMZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.94
Rot. Bonds6

About N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 51105129) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID51105129
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1nn(C)c(N(C)C)c1CNC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H30N6/c1-15-18(19(23(2)3)24(4)22-15)13-21-16-8-11-25(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,16,21H,8-9,11-14H2,1-4H3
InChIKeyUFAPOXYURYPHMZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 51105129) is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is Cc1nn(C)c(N(C)C)c1CNC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is UFAPOXYURYPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15-18(19(23(2)3)24(4)22-15)13-21-16-8-11-25(12-9-16)14-17-7-5-6-10-20-17/h5-7,10,16,21H,8-9,11-14H2,1-4H3.
What are the key properties of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 51105129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).