3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

C17H24N4 — CID 81450320

IUPAC3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cnn(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C17H24N4/c1-2-15-13-20(9-8-17(15)18)11-14-10-19-21(12-14)16-6-4-3-5-7-16/h3-7,10,12,15,17H,2,8-9,11,13,18H2,1H3
InChIKeyLOXAVEBBMMTSIX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.43
Rot. Bonds4

About 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine

3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 81450320) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID81450320
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2cnn(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C17H24N4/c1-2-15-13-20(9-8-17(15)18)11-14-10-19-21(12-14)16-6-4-3-5-7-16/h3-7,10,12,15,17H,2,8-9,11,13,18H2,1H3
InChIKeyLOXAVEBBMMTSIX-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-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

N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97124598
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 95223952

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine (CID 81450320) is 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is CCC1CN(Cc2cnn(-c3ccccc3)c2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is LOXAVEBBMMTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-15-13-20(9-8-17(15)18)11-14-10-19-21(12-14)16-6-4-3-5-7-16/h3-7,10,12,15,17H,2,8-9,11,13,18H2,1H3.
What are the key properties of 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine?
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81450320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).