1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine

C20H30N4 — CID 120913079

IUPAC1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1
InChIInChI=1S/C20H30N4/c1-20(2,3)19-16(13-23-12-8-9-17(15-23)21-4)14-24(22-19)18-10-6-5-7-11-18/h5-7,10-11,14,17,21H,8-9,12-13,15H2,1-4H3
InChIKeyFLDVAEUYYQRVTH-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.35
Rot. Bonds4

About 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine

1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 120913079) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID120913079
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1
InChIInChI=1S/C20H30N4/c1-20(2,3)19-16(13-23-12-8-9-17(15-23)21-4)14-24(22-19)18-10-6-5-7-11-18/h5-7,10-11,14,17,21H,8-9,12-13,15H2,1-4H3
InChIKeyFLDVAEUYYQRVTH-UHFFFAOYSA-N
XLogP3.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
1-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 122035616
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
CID 70745905
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine (CID 120913079) is 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2cn(-c3ccccc3)nc2C(C)(C)C)C1.
What is the InChIKey of 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is FLDVAEUYYQRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-20(2,3)19-16(13-23-12-8-9-17(15-23)21-4)14-24(22-19)18-10-6-5-7-11-18/h5-7,10-11,14,17,21H,8-9,12-13,15H2,1-4H3.
What are the key properties of 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine?
1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 326.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 120913079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).