[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride

C13H23ClN4O — CID 119518635

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-8-12(15-16(9)3)13(18)17-6-4-11(5-7-17)10(2)14;/h8,10-11H,4-7,14H2,1-3H3;1H
InChIKeyDXWMOSUFRMVSQK-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.35
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride (PubChem CID 119518635) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
PubChem CID119518635
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-8-12(15-16(9)3)13(18)17-6-4-11(5-7-17)10(2)14;/h8,10-11H,4-7,14H2,1-3H3;1H
InChIKeyDXWMOSUFRMVSQK-UHFFFAOYSA-N
XLogP1.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255135
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119520864
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119520866
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride (CID 119518635) is [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCC(C(C)N)CC2)nn1C.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride?
The InChIKey is DXWMOSUFRMVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-8-12(15-16(9)3)13(18)17-6-4-11(5-7-17)10(2)14;/h8,10-11H,4-7,14H2,1-3H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119518635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).