6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole

C16H21ClN2 — CID 107914201

IUPAC6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
SMILESCN1CCCCC1CCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3
InChIKeyDYVOYUIPWUXKSU-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.17
Rot. Bonds3

About 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole

6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole (PubChem CID 107914201) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole.

Molecular Properties

Compound Name6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
PubChem CID107914201
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
SMILESCN1CCCCC1CCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3
InChIKeyDYVOYUIPWUXKSU-UHFFFAOYSA-N
XLogP4.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]methanamine
CID 107913109
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
2-[2-(6-chloroindol-1-yl)ethyl]cyclopentan-1-one
CID 79568685
2-[2-(6-chloroindol-1-yl)ethyl]-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine
CID 101196668
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
1-butyl-6-chloroindole
CID 67583801
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
CID 107919142
1-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(6-chloroindol-1-yl)propan-1-one
CID 71831102
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
CID 167666538

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The IUPAC name of 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole (CID 107914201) is 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole.
What is the SMILES notation for 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The canonical SMILES for 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole is CN1CCCCC1CCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
The InChIKey is DYVOYUIPWUXKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-5-6-14(17)12-16(13)19/h5-7,10,12,15H,2-4,8-9,11H2,1H3.
What are the key properties of 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole?
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole has a molecular weight of 276.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole is sourced from PubChem (CID 107914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).