N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

C16H30N4 — CID 65197076

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCc1nn(C)cc1C(C)NCC(C)CN1CCCCC1
InChIInChI=1S/C16H30N4/c1-13(11-20-8-6-5-7-9-20)10-17-14(2)16-12-19(4)18-15(16)3/h12-14,17H,5-11H2,1-4H3
InChIKeyGNHNCWONEMVHMF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 65197076) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID65197076
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCc1nn(C)cc1C(C)NCC(C)CN1CCCCC1
InChIInChI=1S/C16H30N4/c1-13(11-20-8-6-5-7-9-20)10-17-14(2)16-12-19(4)18-15(16)3/h12-14,17H,5-11H2,1-4H3
InChIKeyGNHNCWONEMVHMF-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 102612483
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79548132
1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 65192315
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 65197076) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is Cc1nn(C)cc1C(C)NCC(C)CN1CCCCC1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is GNHNCWONEMVHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(11-20-8-6-5-7-9-20)10-17-14(2)16-12-19(4)18-15(16)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 65197076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).