N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline

C16H22N4 — CID 43715681

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCc1[nH]ncc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H22N4/c1-13-14(12-18-19-13)11-17-15-5-7-16(8-6-15)20-9-3-2-4-10-20/h5-8,12,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyIQPQAVBSLAAAKI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.32
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline (PubChem CID 43715681) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
PubChem CID43715681
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCc1[nH]ncc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H22N4/c1-13-14(12-18-19-13)11-17-15-5-7-16(8-6-15)20-9-3-2-4-10-20/h5-8,12,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyIQPQAVBSLAAAKI-UHFFFAOYSA-N
XLogP3.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663626
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 86808713
N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 115742901
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788411
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
CID 43547187
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43663669

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline (CID 43715681) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline is Cc1[nH]ncc1CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is IQPQAVBSLAAAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-14(12-18-19-13)11-17-15-5-7-16(8-6-15)20-9-3-2-4-10-20/h5-8,12,17H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 43715681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).