4-chloro-2-methyl-5-piperidin-4-yl-1H-indole

C14H17ClN2 — CID 115004432

IUPAC4-chloro-2-methyl-5-piperidin-4-yl-1H-indole
SMILESCc1cc2c(Cl)c(C3CCNCC3)ccc2[nH]1
InChIInChI=1S/C14H17ClN2/c1-9-8-12-13(17-9)3-2-11(14(12)15)10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7H2,1H3
InChIKeyZIXZVHXLPHMCIO-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole

4-chloro-2-methyl-5-piperidin-4-yl-1H-indole (PubChem CID 115004432) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-2-methyl-5-piperidin-4-yl-1H-indole
PubChem CID115004432
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-chloro-2-methyl-5-piperidin-4-yl-1H-indole
SMILESCc1cc2c(Cl)c(C3CCNCC3)ccc2[nH]1
InChIInChI=1S/C14H17ClN2/c1-9-8-12-13(17-9)3-2-11(14(12)15)10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7H2,1H3
InChIKeyZIXZVHXLPHMCIO-UHFFFAOYSA-N
XLogP3.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methyl-1H-indol-5-yl)morpholine
CID 117380167
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2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
2-amino-3-piperidin-4-ylphenol
CID 117103764
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
1-piperidin-4-yl-9H-carbazole
CID 151051722
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole
CID 84637292
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole?
The IUPAC name of 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole (CID 115004432) is 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole is Cc1cc2c(Cl)c(C3CCNCC3)ccc2[nH]1.
What is the InChIKey of 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole?
The InChIKey is ZIXZVHXLPHMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-8-12-13(17-9)3-2-11(14(12)15)10-4-6-16-7-5-10/h2-3,8,10,16-17H,4-7H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole?
4-chloro-2-methyl-5-piperidin-4-yl-1H-indole has a molecular weight of 248.76 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 115004432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).