3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine

C13H23N3 — CID 169242174

IUPAC3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)CC1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C13H23N3/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyLXPQTZHJDRUZCH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.67
Rot. Bonds4

About 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine

3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 169242174) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID169242174
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)CC1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C13H23N3/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15)
InChIKeyLXPQTZHJDRUZCH-UHFFFAOYSA-N
XLogP2.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine (CID 169242174) is 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine is CC(C)CC1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is LXPQTZHJDRUZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 169242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).