1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine

C18H35N5 — CID 75447215

IUPAC1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine
SMILESCCN(CC)CCn1cc(NC2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H35N5/c1-6-21(7-2)12-13-23-15-17(14-19-23)20-16-8-10-22(11-9-16)18(3,4)5/h14-16,20H,6-13H2,1-5H3
InChIKeyWJYVNCNUKMHITM-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.90
Rot. Bonds7

About 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine

1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine (PubChem CID 75447215) has the molecular formula C18H35N5 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine
PubChem CID75447215
Molecular FormulaC18H35N5
Molecular Weight321.51 g/mol
Exact Mass321.29
IUPAC Name1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine
SMILESCCN(CC)CCn1cc(NC2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H35N5/c1-6-21(7-2)12-13-23-15-17(14-19-23)20-16-8-10-22(11-9-16)18(3,4)5/h14-16,20H,6-13H2,1-5H3
InChIKeyWJYVNCNUKMHITM-UHFFFAOYSA-N
XLogP2.90
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine (CID 75447215) is 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine is CCN(CC)CCn1cc(NC2CCN(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine?
The InChIKey is WJYVNCNUKMHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5/c1-6-21(7-2)12-13-23-15-17(14-19-23)20-16-8-10-22(11-9-16)18(3,4)5/h14-16,20H,6-13H2,1-5H3.
What are the key properties of 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine?
1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine has a molecular weight of 321.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 75447215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).