3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine

C15H26N4 — CID 119932582

IUPAC3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
SMILESCn1nccc1C1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C15H26N4/c1-18-15(6-9-17-18)14-3-2-10-19(12-14)11-13-4-7-16-8-5-13/h6,9,13-14,16H,2-5,7-8,10-12H2,1H3
InChIKeyIEXOEKJUNMGYCB-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.60
Rot. Bonds3

About 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine

3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 119932582) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
PubChem CID119932582
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
SMILESCn1nccc1C1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C15H26N4/c1-18-15(6-9-17-18)14-3-2-10-19(12-14)11-13-4-7-16-8-5-13/h6,9,13-14,16H,2-5,7-8,10-12H2,1H3
InChIKeyIEXOEKJUNMGYCB-UHFFFAOYSA-N
XLogP1.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine (CID 119932582) is 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine is Cn1nccc1C1CCCN(CC2CCNCC2)C1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is IEXOEKJUNMGYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-18-15(6-9-17-18)14-3-2-10-19(12-14)11-13-4-7-16-8-5-13/h6,9,13-14,16H,2-5,7-8,10-12H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine?
3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 262.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 119932582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).