1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine

C13H24N4 — CID 102550641

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
SMILESCC(C)(C)c1cc(CN2CCCC(N)C2)[nH]n1
InChIInChI=1S/C13H24N4/c1-13(2,3)12-7-11(15-16-12)9-17-6-4-5-10(14)8-17/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVMNXHSGITBYWEK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds2

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine (PubChem CID 102550641) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
PubChem CID102550641
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
SMILESCC(C)(C)c1cc(CN2CCCC(N)C2)[nH]n1
InChIInChI=1S/C13H24N4/c1-13(2,3)12-7-11(15-16-12)9-17-6-4-5-10(14)8-17/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVMNXHSGITBYWEK-UHFFFAOYSA-N
XLogP1.63
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine (CID 102550641) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine is CC(C)(C)c1cc(CN2CCCC(N)C2)[nH]n1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is VMNXHSGITBYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)12-7-11(15-16-12)9-17-6-4-5-10(14)8-17/h7,10H,4-6,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 102550641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).