N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine

C16H30N4 — CID 120842543

IUPACN-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2cn(C(C)C)nc2C)CC1
InChIInChI=1S/C16H30N4/c1-5-17-10-15-6-8-19(9-7-15)11-16-12-20(13(2)3)18-14(16)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNGEUFLQQVKJXOY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.59
Rot. Bonds6

About N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 120842543) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID120842543
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2cn(C(C)C)nc2C)CC1
InChIInChI=1S/C16H30N4/c1-5-17-10-15-6-8-19(9-7-15)11-16-12-20(13(2)3)18-14(16)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNGEUFLQQVKJXOY-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120838430
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 92633802
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]azepan-2-yl]methanol
CID 126834158
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine (CID 120842543) is N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2cn(C(C)C)nc2C)CC1.
What is the InChIKey of N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is NGEUFLQQVKJXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-17-10-15-6-8-19(9-7-15)11-16-12-20(13(2)3)18-14(16)4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 120842543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).