[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

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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).