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

C14H25N3 — CID 58235108

IUPAC4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3/c1-14(2,3)12-6-9-17(10-7-12)11-13-5-8-15-16(13)4/h5,8,12H,6-7,9-11H2,1-4H3
InChIKeyXYZXQOUBDZTSMC-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.68
Rot. Bonds2

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

4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 58235108) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID58235108
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25N3/c1-14(2,3)12-6-9-17(10-7-12)11-13-5-8-15-16(13)4/h5,8,12H,6-7,9-11H2,1-4H3
InChIKeyXYZXQOUBDZTSMC-UHFFFAOYSA-N
XLogP2.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 58235108) is 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine is Cn1nccc1CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is XYZXQOUBDZTSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)12-6-9-17(10-7-12)11-13-5-8-15-16(13)4/h5,8,12H,6-7,9-11H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 235.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 58235108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).