1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride

C15H24ClF3N4 — CID 119932299

IUPAC1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCCN(CC3CCCNC3)C2)[nH]n1
InChIInChI=1S/C15H23F3N4.ClH/c16-15(17,18)14-7-13(20-21-14)12-4-2-6-22(10-12)9-11-3-1-5-19-8-11;/h7,11-12,19H,1-6,8-10H2,(H,20,21);1H
InChIKeyKBPHJGVZSJQTFU-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.03
Rot. Bonds3

About 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride

1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride (PubChem CID 119932299) has the molecular formula C15H24ClF3N4 and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
PubChem CID119932299
Molecular FormulaC15H24ClF3N4
Molecular Weight352.83 g/mol
Exact Mass352.16
IUPAC Name1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCCN(CC3CCCNC3)C2)[nH]n1
InChIInChI=1S/C15H23F3N4.ClH/c16-15(17,18)14-7-13(20-21-14)12-4-2-6-22(10-12)9-11-3-1-5-19-8-11;/h7,11-12,19H,1-6,8-10H2,(H,20,21);1H
InChIKeyKBPHJGVZSJQTFU-UHFFFAOYSA-N
XLogP3.03
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
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1-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-7-azabicyclo[2.2.1]heptane
CID 136572266
4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
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(2R)-1-pyrazol-1-yl-3-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
CID 100871677
2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 96514333
2,2,2-trifluoro-1-[1-(piperidin-3-ylmethyl)piperidin-3-yl]ethanol;hydrochloride
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CID 167974307
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
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(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The IUPAC name of 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride (CID 119932299) is 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride is Cl.FC(F)(F)c1cc(C2CCCN(CC3CCCNC3)C2)[nH]n1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
The InChIKey is KBPHJGVZSJQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4.ClH/c16-15(17,18)14-7-13(20-21-14)12-4-2-6-22(10-12)9-11-3-1-5-19-8-11;/h7,11-12,19H,1-6,8-10H2,(H,20,21);1H.
What are the key properties of 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride?
1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride is sourced from PubChem (CID 119932299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).