(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride

C11H19ClN4O — CID 120818433

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccn[nH]2)CCC1N.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-11(2)7-15(6-4-9(11)12)10(16)8-3-5-13-14-8;/h3,5,9H,4,6-7,12H2,1-2H3,(H,13,14);1H
InChIKeyBXNVRTAUSRSXKF-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.03
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride (PubChem CID 120818433) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
PubChem CID120818433
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccn[nH]2)CCC1N.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-11(2)7-15(6-4-9(11)12)10(16)8-3-5-13-14-8;/h3,5,9H,4,6-7,12H2,1-2H3,(H,13,14);1H
InChIKeyBXNVRTAUSRSXKF-UHFFFAOYSA-N
XLogP1.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 120815955
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride (CID 120818433) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride is CC1(C)CN(C(=O)c2ccn[nH]2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride?
The InChIKey is BXNVRTAUSRSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-11(2)7-15(6-4-9(11)12)10(16)8-3-5-13-14-8;/h3,5,9H,4,6-7,12H2,1-2H3,(H,13,14);1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 120818433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).