N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine

C16H30N4 — CID 86786869

IUPACN-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCCCn1ncc(NC2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C16H30N4/c1-5-6-9-20-14(4)16(12-17-20)18-15-7-10-19(11-8-15)13(2)3/h12-13,15,18H,5-11H2,1-4H3
InChIKeyFYRZLHWWIRBJBT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.28
Rot. Bonds6

About N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine

N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 86786869) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID86786869
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCCCn1ncc(NC2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C16H30N4/c1-5-6-9-20-14(4)16(12-17-20)18-15-7-10-19(11-8-15)13(2)3/h12-13,15,18H,5-11H2,1-4H3
InChIKeyFYRZLHWWIRBJBT-UHFFFAOYSA-N
XLogP3.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine (CID 86786869) is N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine is CCCCn1ncc(NC2CCN(C(C)C)CC2)c1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is FYRZLHWWIRBJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-6-9-20-14(4)16(12-17-20)18-15-7-10-19(11-8-15)13(2)3/h12-13,15,18H,5-11H2,1-4H3.
What are the key properties of N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine?
N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 86786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).