7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole

C16H21ClN2 — CID 98034395

IUPAC7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
SMILESCc1c(CC2CCNCC2)c2cccc(Cl)c2n1C
InChIInChI=1S/C16H21ClN2/c1-11-14(10-12-6-8-18-9-7-12)13-4-3-5-15(17)16(13)19(11)2/h3-5,12,18H,6-10H2,1-2H3
InChIKeyUWUZAIDILPQADZ-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.68
Rot. Bonds2

About 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole

7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole (PubChem CID 98034395) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole.

Molecular Properties

Compound Name7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
PubChem CID98034395
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
SMILESCc1c(CC2CCNCC2)c2cccc(Cl)c2n1C
InChIInChI=1S/C16H21ClN2/c1-11-14(10-12-6-8-18-9-7-12)13-4-3-5-15(17)16(13)19(11)2/h3-5,12,18H,6-10H2,1-2H3
InChIKeyUWUZAIDILPQADZ-UHFFFAOYSA-N
XLogP3.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
2-methyl-3-(piperidin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 84640982
3-bromo-1-methyl-7-(piperidin-4-ylmethyl)indazole
CID 117493169
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole?
The IUPAC name of 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole (CID 98034395) is 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole.
What is the SMILES notation for 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole?
The canonical SMILES for 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole is Cc1c(CC2CCNCC2)c2cccc(Cl)c2n1C.
What is the InChIKey of 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole?
The InChIKey is UWUZAIDILPQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-11-14(10-12-6-8-18-9-7-12)13-4-3-5-15(17)16(13)19(11)2/h3-5,12,18H,6-10H2,1-2H3.
What are the key properties of 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole?
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole has a molecular weight of 276.81 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole is sourced from PubChem (CID 98034395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).