2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine

C12H20ClN3O — CID 113470030

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
SMILESCc1nn(C)c(Cl)c1COCC1CCCCN1
InChIInChI=1S/C12H20ClN3O/c1-9-11(12(13)16(2)15-9)8-17-7-10-5-3-4-6-14-10/h10,14H,3-8H2,1-2H3
InChIKeyYADGNFSFVBBPIU-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.04
Rot. Bonds4

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine (PubChem CID 113470030) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
PubChem CID113470030
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
SMILESCc1nn(C)c(Cl)c1COCC1CCCCN1
InChIInChI=1S/C12H20ClN3O/c1-9-11(12(13)16(2)15-9)8-17-7-10-5-3-4-6-14-10/h10,14H,3-8H2,1-2H3
InChIKeyYADGNFSFVBBPIU-UHFFFAOYSA-N
XLogP2.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
CID 106201252
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
CID 97163927
2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519
2-(ethoxymethyl)azepane
CID 79569846
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-ethyl-5-(piperidin-2-ylmethoxymethyl)-1,3,4-oxadiazole
CID 62341250
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 95970426

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine (CID 113470030) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine is Cc1nn(C)c(Cl)c1COCC1CCCCN1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine?
The InChIKey is YADGNFSFVBBPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-9-11(12(13)16(2)15-9)8-17-7-10-5-3-4-6-14-10/h10,14H,3-8H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine has a molecular weight of 257.76 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine is sourced from PubChem (CID 113470030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).