N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

C17H32N4O — CID 71879887

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCOCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)CC1
InChIInChI=1S/C17H32N4O/c1-17(2,3)16-15(13-19-20-16)12-18-11-14-5-7-21(8-6-14)9-10-22-4/h13-14,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyBVQZVNGKTUEZHP-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.16
Rot. Bonds7

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (PubChem CID 71879887) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
PubChem CID71879887
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCOCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)CC1
InChIInChI=1S/C17H32N4O/c1-17(2,3)16-15(13-19-20-16)12-18-11-14-5-7-21(8-6-14)9-10-22-4/h13-14,18H,5-12H2,1-4H3,(H,19,20)
InChIKeyBVQZVNGKTUEZHP-UHFFFAOYSA-N
XLogP2.16
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (CID 71879887) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is COCCN1CCC(CNCc2cn[nH]c2C(C)(C)C)CC1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is BVQZVNGKTUEZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-17(2,3)16-15(13-19-20-16)12-18-11-14-5-7-21(8-6-14)9-10-22-4/h13-14,18H,5-12H2,1-4H3,(H,19,20).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 308.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 71879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).