3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

C17H29ClN4 — CID 120858421

IUPAC3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Cn1nccc1C1CC2CCC(C1)N2CC1CCCNC1
InChIInChI=1S/C17H28N4.ClH/c1-20-17(6-8-19-20)14-9-15-4-5-16(10-14)21(15)12-13-3-2-7-18-11-13;/h6,8,13-16,18H,2-5,7,9-12H2,1H3;1H
InChIKeyJCYKJJREEBRPIN-UHFFFAOYSA-N
MW324.90 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 120858421) has the molecular formula C17H29ClN4 and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID120858421
Molecular FormulaC17H29ClN4
Molecular Weight324.90 g/mol
Exact Mass324.21
IUPAC Name3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.Cn1nccc1C1CC2CCC(C1)N2CC1CCCNC1
InChIInChI=1S/C17H28N4.ClH/c1-20-17(6-8-19-20)14-9-15-4-5-16(10-14)21(15)12-13-3-2-7-18-11-13;/h6,8,13-16,18H,2-5,7,9-12H2,1H3;1H
InChIKeyJCYKJJREEBRPIN-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride with MolForge

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Related Compounds

1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
CID 120849907
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CID 80554998
3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
CID 119932582
3-(2-methylpyrazol-3-yl)cyclopentan-1-amine
CID 64504110
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
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2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
CID 166256119
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63302875
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
CID 125014329

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 120858421) is 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.Cn1nccc1C1CC2CCC(C1)N2CC1CCCNC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is JCYKJJREEBRPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.ClH/c1-20-17(6-8-19-20)14-9-15-4-5-16(10-14)21(15)12-13-3-2-7-18-11-13;/h6,8,13-16,18H,2-5,7,9-12H2,1H3;1H.
What are the key properties of 3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 2.55, 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)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 120858421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).