1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine

C14H26N4 — CID 75483546

IUPAC1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
SMILESCC(C)CCn1ccc(NC2CCN(C)CC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)4-10-18-11-7-14(16-18)15-13-5-8-17(3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,15,16)
InChIKeyHHYWZMFDHDYMLX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds5

About 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine

1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine (PubChem CID 75483546) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
PubChem CID75483546
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
SMILESCC(C)CCn1ccc(NC2CCN(C)CC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)4-10-18-11-7-14(16-18)15-13-5-8-17(3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,15,16)
InChIKeyHHYWZMFDHDYMLX-UHFFFAOYSA-N
XLogP2.44
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine (CID 75483546) is 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine is CC(C)CCn1ccc(NC2CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine?
The InChIKey is HHYWZMFDHDYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)4-10-18-11-7-14(16-18)15-13-5-8-17(3)9-6-13/h7,11-13H,4-6,8-10H2,1-3H3,(H,15,16).
What are the key properties of 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine?
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 75483546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).