1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine

C15H26N4 — CID 106936555

IUPAC1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESC=Cn1cc(CNC2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H26N4/c1-5-19-12-13(11-17-19)10-16-14-6-8-18(9-7-14)15(2,3)4/h5,11-12,14,16H,1,6-10H2,2-4H3
InChIKeyRRHJOUDCXCZOSO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.34
Rot. Bonds4

About 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine

1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 106936555) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID106936555
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESC=Cn1cc(CNC2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H26N4/c1-5-19-12-13(11-17-19)10-16-14-6-8-18(9-7-14)15(2,3)4/h5,11-12,14,16H,1,6-10H2,2-4H3
InChIKeyRRHJOUDCXCZOSO-UHFFFAOYSA-N
XLogP2.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106936939
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107095221
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
CID 106936940
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
N-[(1-ethenylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106935342
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine (CID 106936555) is 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine is C=Cn1cc(CNC2CCN(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is RRHJOUDCXCZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-19-12-13(11-17-19)10-16-14-6-8-18(9-7-14)15(2,3)4/h5,11-12,14,16H,1,6-10H2,2-4H3.
What are the key properties of 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 106936555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).