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

C16H31N5O — CID 51105307

IUPACN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3
InChIKeyCTRGRZQQFZJQGW-UHFFFAOYSA-N
MW309.46 g/mol
LogP0.99
Rot. Bonds7

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

N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 51105307) has the molecular formula C16H31N5O and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID51105307
Molecular FormulaC16H31N5O
Molecular Weight309.46 g/mol
Exact Mass309.25
IUPAC NameN-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1
InChIInChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3
InChIKeyCTRGRZQQFZJQGW-UHFFFAOYSA-N
XLogP0.99
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 50.99
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-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine (CID 51105307) is N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CCC(NCc2c(C)nn(C)c2N(C)C)CC1.
What is the InChIKey of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is CTRGRZQQFZJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O/c1-13-15(16(19(2)3)20(4)18-13)12-17-14-6-8-21(9-7-14)10-11-22-5/h14,17H,6-12H2,1-5H3.
What are the key properties of N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine?
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 0.99, 7 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-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 51105307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).