N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine

C16H28N4 — CID 86808468

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESCC(C)(C)c1[nH]ncc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-12(11-18-19-15)10-17-13-6-8-20(9-7-13)14-4-5-14/h11,13-14,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyUFUXXLGXXXVNFC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.42
Rot. Bonds4

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 86808468) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine
PubChem CID86808468
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESCC(C)(C)c1[nH]ncc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-12(11-18-19-15)10-17-13-6-8-20(9-7-13)14-4-5-14/h11,13-14,17H,4-10H2,1-3H3,(H,18,19)
InChIKeyUFUXXLGXXXVNFC-UHFFFAOYSA-N
XLogP2.42
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine (CID 86808468) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine is CC(C)(C)c1[nH]ncc1CNC1CCN(C2CC2)CC1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is UFUXXLGXXXVNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)15-12(11-18-19-15)10-17-13-6-8-20(9-7-13)14-4-5-14/h11,13-14,17H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 86808468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).