2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine

C16H21N3O — CID 117125038

IUPAC2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
SMILESCc1cccc(Oc2cnn(CC3CCCCN3)c2)c1
InChIInChI=1S/C16H21N3O/c1-13-5-4-7-15(9-13)20-16-10-18-19(12-16)11-14-6-2-3-8-17-14/h4-5,7,9-10,12,14,17H,2-3,6,8,11H2,1H3
InChIKeyGEEYRWDAYFSKOB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds4

About 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine

2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine (PubChem CID 117125038) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
PubChem CID117125038
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
SMILESCc1cccc(Oc2cnn(CC3CCCCN3)c2)c1
InChIInChI=1S/C16H21N3O/c1-13-5-4-7-15(9-13)20-16-10-18-19(12-16)11-14-6-2-3-8-17-14/h4-5,7,9-10,12,14,17H,2-3,6,8,11H2,1H3
InChIKeyGEEYRWDAYFSKOB-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
2-[2-(3-methylphenoxy)propyl]piperidine
CID 105493585
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 121214008
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
CID 117125146
4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84604183
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
3-[5-(3-methylphenoxy)pyrimidin-2-yl]azepane
CID 117231462
1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 171834779
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine (CID 117125038) is 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine is Cc1cccc(Oc2cnn(CC3CCCCN3)c2)c1.
What is the InChIKey of 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine?
The InChIKey is GEEYRWDAYFSKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-5-4-7-15(9-13)20-16-10-18-19(12-16)11-14-6-2-3-8-17-14/h4-5,7,9-10,12,14,17H,2-3,6,8,11H2,1H3.
What are the key properties of 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine?
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 117125038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).