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

C22H42N4 — CID 169242185

IUPAC3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)CC1CCCN(Cc2ccn[nH]2)C1.CC(C)CC1CCCNC1
InChIInChI=1S/C13H23N3.C9H19N/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13;1-8(2)6-9-4-3-5-10-7-9/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15);8-10H,3-7H2,1-2H3
InChIKeyIWEQLRAHQFOKMF-UHFFFAOYSA-N
MW362.61 g/mol
LogP4.70
Rot. Bonds6

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

3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 169242185) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID169242185
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCC(C)CC1CCCN(Cc2ccn[nH]2)C1.CC(C)CC1CCCNC1
InChIInChI=1S/C13H23N3.C9H19N/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13;1-8(2)6-9-4-3-5-10-7-9/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15);8-10H,3-7H2,1-2H3
InChIKeyIWEQLRAHQFOKMF-UHFFFAOYSA-N
XLogP4.70
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine (CID 169242185) is 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine is CC(C)CC1CCCN(Cc2ccn[nH]2)C1.CC(C)CC1CCCNC1.
What is the InChIKey of 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is IWEQLRAHQFOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.C9H19N/c1-11(2)8-12-4-3-7-16(9-12)10-13-5-6-14-15-13;1-8(2)6-9-4-3-5-10-7-9/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15);8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine?
3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 362.61 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 169242185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).