[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C11H18N4O — CID 63595151

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-8(12)9-2-4-15(5-3-9)11(16)10-6-13-14-7-10/h6-9H,2-5,12H2,1H3,(H,13,14)
InChIKeyXGXZWKGYNDAVIC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.61
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 63595151) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID63595151
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-8(12)9-2-4-15(5-3-9)11(16)10-6-13-14-7-10/h6-9H,2-5,12H2,1H3,(H,13,14)
InChIKeyXGXZWKGYNDAVIC-UHFFFAOYSA-N
XLogP0.61
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
4-propan-2-yl-1-[1-(1H-pyrazol-4-yl)ethenyl]piperidine
CID 139554895
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 63595151) is [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is CC(N)C1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is XGXZWKGYNDAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12)9-2-4-15(5-3-9)11(16)10-6-13-14-7-10/h6-9H,2-5,12H2,1H3,(H,13,14).
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 63595151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).