6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole

C18H24ClN3 — CID 173291165

IUPAC6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole
SMILESClc1ccc2c(C3CCN[C@H](N4CCCCC4)C3)c[nH]c2c1
InChIInChI=1S/C18H24ClN3/c19-14-4-5-15-16(12-21-17(15)11-14)13-6-7-20-18(10-13)22-8-2-1-3-9-22/h4-5,11-13,18,20-21H,1-3,6-10H2/t13?,18-/m1/s1
InChIKeyGDEQWVXTPKBGBT-PQJIZZRHSA-N
MW317.86 g/mol
LogP4.10
Rot. Bonds2

About 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole

6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole (PubChem CID 173291165) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole
PubChem CID173291165
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC Name6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole
SMILESClc1ccc2c(C3CCN[C@H](N4CCCCC4)C3)c[nH]c2c1
InChIInChI=1S/C18H24ClN3/c19-14-4-5-15-16(12-21-17(15)11-14)13-6-7-20-18(10-13)22-8-2-1-3-9-22/h4-5,11-13,18,20-21H,1-3,6-10H2/t13?,18-/m1/s1
InChIKeyGDEQWVXTPKBGBT-PQJIZZRHSA-N
XLogP4.10
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174813867
N-(3-chloro-4-fluorophenyl)-2-piperidin-1-ylpiperidin-4-amine
CID 173310436
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677172
(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
CID 142627626
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole (CID 173291165) is 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole is Clc1ccc2c(C3CCN[C@H](N4CCCCC4)C3)c[nH]c2c1.
What is the InChIKey of 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole?
The InChIKey is GDEQWVXTPKBGBT-PQJIZZRHSA-N. The full InChI is InChI=1S/C18H24ClN3/c19-14-4-5-15-16(12-21-17(15)11-14)13-6-7-20-18(10-13)22-8-2-1-3-9-22/h4-5,11-13,18,20-21H,1-3,6-10H2/t13?,18-/m1/s1.
What are the key properties of 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole?
6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole has a molecular weight of 317.86 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2R)-2-piperidin-1-ylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 173291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).