4-(1H-pyrazol-4-yl)piperidine;hydrochloride

C8H14ClN3 — CID 53414740

IUPAC4-(1H-pyrazol-4-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]cc1C1CCNCC1
InChIInChI=1S/C8H13N3.ClH/c1-3-9-4-2-7(1)8-5-10-11-6-8;/h5-7,9H,1-4H2,(H,10,11);1H
InChIKeySAHHYQVBWYQCBS-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.30
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)piperidine;hydrochloride

4-(1H-pyrazol-4-yl)piperidine;hydrochloride (PubChem CID 53414740) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)piperidine;hydrochloride
PubChem CID53414740
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4-(1H-pyrazol-4-yl)piperidine;hydrochloride
SMILESCl.c1n[nH]cc1C1CCNCC1
InChIInChI=1S/C8H13N3.ClH/c1-3-9-4-2-7(1)8-5-10-11-6-8;/h5-7,9H,1-4H2,(H,10,11);1H
InChIKeySAHHYQVBWYQCBS-UHFFFAOYSA-N
XLogP1.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole-4-propanamine
CID 152327
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-(1-Hydroxypyrazol-4-yl)piperidine
CID 46203882
4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
3-(1H-pyrazol-4-yl)piperidine
CID 53612880
4-(1-Hydroxypyrazol-4-yl)piperidine;hydrochloride
CID 49861352
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
3-(1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 22754933
4-(1H-Pyrazol-4-yl)piperidine
CID 28605195
2-(1H-pyrazol-4-yl)piperidine
CID 54593248
4-(2-methylpropyl)-1H-pyrazole
CID 58592546
4-(pyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 67187229

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The IUPAC name of 4-(1H-pyrazol-4-yl)piperidine;hydrochloride (CID 53414740) is 4-(1H-pyrazol-4-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(1H-pyrazol-4-yl)piperidine;hydrochloride is Cl.c1n[nH]cc1C1CCNCC1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)piperidine;hydrochloride?
The InChIKey is SAHHYQVBWYQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c1-3-9-4-2-7(1)8-5-10-11-6-8;/h5-7,9H,1-4H2,(H,10,11);1H.
What are the key properties of 4-(1H-pyrazol-4-yl)piperidine;hydrochloride?
4-(1H-pyrazol-4-yl)piperidine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)piperidine;hydrochloride is sourced from PubChem (CID 53414740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).