[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride

C11H19ClN4O — CID 119544034

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccn[nH]2)CC1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-8-9-3-6-15(7-4-9)11(16)10-2-5-13-14-10;/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,14);1H
InChIKeyQEUUQMJNSJSPCN-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.90
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride (PubChem CID 119544034) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
PubChem CID119544034
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccn[nH]2)CC1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-8-9-3-6-15(7-4-9)11(16)10-2-5-13-14-10;/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,14);1H
InChIKeyQEUUQMJNSJSPCN-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56813827
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
[4-(methylaminomethyl)piperidin-1-yl]-(5-nitro-1H-pyrrol-2-yl)methanone;hydrochloride
CID 119544028
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride (CID 119544034) is [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride is CNCC1CCN(C(=O)c2ccn[nH]2)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride?
The InChIKey is QEUUQMJNSJSPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-12-8-9-3-6-15(7-4-9)11(16)10-2-5-13-14-10;/h2,5,9,12H,3-4,6-8H2,1H3,(H,13,14);1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119544034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).