3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C15H28N4 — CID 106756979

IUPAC3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCC1CCN(CCCNC(C)c2ccnn2C)CC1
InChIInChI=1S/C15H28N4/c1-13-6-11-19(12-7-13)10-4-8-16-14(2)15-5-9-17-18(15)3/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3
InChIKeyZKVJNGJOYFESKC-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.19
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 106756979) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID106756979
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCC1CCN(CCCNC(C)c2ccnn2C)CC1
InChIInChI=1S/C15H28N4/c1-13-6-11-19(12-7-13)10-4-8-16-14(2)15-5-9-17-18(15)3/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3
InChIKeyZKVJNGJOYFESKC-UHFFFAOYSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756945
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 54898068
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
CID 106757728
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 106756979) is 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CC1CCN(CCCNC(C)c2ccnn2C)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is ZKVJNGJOYFESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13-6-11-19(12-7-13)10-4-8-16-14(2)15-5-9-17-18(15)3/h5,9,13-14,16H,4,6-8,10-12H2,1-3H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106756979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).