1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

C19H37N5O — CID 145385346

IUPAC1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NCc1ccn[nH]1
InChIInChI=1S/C11H22N2O.C8H15N3/c1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;1-8(2,3)9-6-7-4-5-10-11-7/h10,12H,5-8H2,1-4H3;4-5,9H,6H2,1-3H3,(H,10,11)
InChIKeyHLNSTQUEBPLTKK-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.68
Rot. Bonds3

About 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (PubChem CID 145385346) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
PubChem CID145385346
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NCc1ccn[nH]1
InChIInChI=1S/C11H22N2O.C8H15N3/c1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;1-8(2,3)9-6-7-4-5-10-11-7/h10,12H,5-8H2,1-4H3;4-5,9H,6H2,1-3H3,(H,10,11)
InChIKeyHLNSTQUEBPLTKK-UHFFFAOYSA-N
XLogP2.68
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (CID 145385346) is 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is CC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NCc1ccn[nH]1.
What is the InChIKey of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The InChIKey is HLNSTQUEBPLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C8H15N3/c1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;1-8(2,3)9-6-7-4-5-10-11-7/h10,12H,5-8H2,1-4H3;4-5,9H,6H2,1-3H3,(H,10,11).
What are the key properties of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine has a molecular weight of 351.54 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 145385346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).