2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

C15H28N4 — CID 103571894

IUPAC2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC(C)(C)C2)cn1
InChIInChI=1S/C15H28N4/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,3)12-18/h10-11,14H,4-9,12,16H2,1-3H3
InChIKeyIFYMRBUEJQZIHC-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds5

About 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine

2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 103571894) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
PubChem CID103571894
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCCC(C)(C)C2)cn1
InChIInChI=1S/C15H28N4/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,3)12-18/h10-11,14H,4-9,12,16H2,1-3H3
InChIKeyIFYMRBUEJQZIHC-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569630
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
2-(4-cyclopropylpiperazin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571785
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(1-propylpyrazol-4-yl)ethanamine
CID 103572014
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951
3-(1-propylpyrazol-4-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 103573334
N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571823
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
CID 81144771

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine (CID 103571894) is 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(CN)N2CCCC(C)(C)C2)cn1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is IFYMRBUEJQZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-19-11-13(10-17-19)14(9-16)18-8-5-6-15(2,3)12-18/h10-11,14H,4-9,12,16H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103571894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).