3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole

C14H18ClN3 — CID 117414218

IUPAC3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole
SMILESCn1nc(Cl)c2c(CC3CCCCN3)cccc21
InChIInChI=1S/C14H18ClN3/c1-18-12-7-4-5-10(13(12)14(15)17-18)9-11-6-2-3-8-16-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyLFCHHAPDTZSYGY-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.91
Rot. Bonds2

About 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole

3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole (PubChem CID 117414218) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole
PubChem CID117414218
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole
SMILESCn1nc(Cl)c2c(CC3CCCCN3)cccc21
InChIInChI=1S/C14H18ClN3/c1-18-12-7-4-5-10(13(12)14(15)17-18)9-11-6-2-3-8-16-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyLFCHHAPDTZSYGY-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
CID 117411537
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-(piperidin-2-ylmethyl)aniline
CID 84662844
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole?
The IUPAC name of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole (CID 117414218) is 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole.
What is the SMILES notation for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole?
The canonical SMILES for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole is Cn1nc(Cl)c2c(CC3CCCCN3)cccc21.
What is the InChIKey of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole?
The InChIKey is LFCHHAPDTZSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-18-12-7-4-5-10(13(12)14(15)17-18)9-11-6-2-3-8-16-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3.
What are the key properties of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole?
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole has a molecular weight of 263.77 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole is sourced from PubChem (CID 117414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).