2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

C19H28N4 — CID 119108580

IUPAC2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CC(NCc2cnn(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C19H28N4/c1-18(2)10-16(11-19(3,4)22-18)20-12-15-13-21-23(14-15)17-8-6-5-7-9-17/h5-9,13-14,16,20,22H,10-12H2,1-4H3
InChIKeyVAIUKCSICQWINS-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.27
Rot. Bonds4

About 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 119108580) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID119108580
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC1(C)CC(NCc2cnn(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C19H28N4/c1-18(2)10-16(11-19(3,4)22-18)20-12-15-13-21-23(14-15)17-8-6-5-7-9-17/h5-9,13-14,16,20,22H,10-12H2,1-4H3
InChIKeyVAIUKCSICQWINS-UHFFFAOYSA-N
XLogP3.27
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 37031971
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 97062742
1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 71916254
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (CID 119108580) is 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is CC1(C)CC(NCc2cnn(-c3ccccc3)c2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is VAIUKCSICQWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-18(2)10-16(11-19(3,4)22-18)20-12-15-13-21-23(14-15)17-8-6-5-7-9-17/h5-9,13-14,16,20,22H,10-12H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119108580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).