[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine

C16H30N4 — CID 83089715

IUPAC[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(Cc2cn(C)nc2C(C)(C)C)C1CN
InChIInChI=1S/C16H30N4/c1-12-7-6-8-20(14(12)9-17)11-13-10-19(5)18-15(13)16(2,3)4/h10,12,14H,6-9,11,17H2,1-5H3
InChIKeyGCBWPIQJGUHGNS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.28
Rot. Bonds3

About [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine

[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine (PubChem CID 83089715) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
PubChem CID83089715
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(Cc2cn(C)nc2C(C)(C)C)C1CN
InChIInChI=1S/C16H30N4/c1-12-7-6-8-20(14(12)9-17)11-13-10-19(5)18-15(13)16(2,3)4/h10,12,14H,6-9,11,17H2,1-5H3
InChIKeyGCBWPIQJGUHGNS-UHFFFAOYSA-N
XLogP2.28
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 120841208
[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119926209
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 120841207
1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909656
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925929
2-[[2-(aminomethyl)-3-methylpiperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 64765757
[1-[(4-chloro-2-fluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 120841141
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082

Frequently Asked Questions

What is the IUPAC name of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine (CID 83089715) is [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine is CC1CCCN(Cc2cn(C)nc2C(C)(C)C)C1CN.
What is the InChIKey of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The InChIKey is GCBWPIQJGUHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-7-6-8-20(14(12)9-17)11-13-10-19(5)18-15(13)16(2,3)4/h10,12,14H,6-9,11,17H2,1-5H3.
What are the key properties of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine has a molecular weight of 278.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 83089715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).