6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole

C13H17ClN2 — CID 105498634

IUPAC6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)NCC2C1CCNCC1
InChIInChI=1S/C13H17ClN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15-16H,3-6,8H2
InChIKeyLOXBLLJCTTVTQR-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.85
Rot. Bonds1

About 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole

6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole (PubChem CID 105498634) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
PubChem CID105498634
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole
SMILESClc1ccc2c(c1)NCC2C1CCNCC1
InChIInChI=1S/C13H17ClN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15-16H,3-6,8H2
InChIKeyLOXBLLJCTTVTQR-UHFFFAOYSA-N
XLogP2.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105475984
6-chloro-3-fluoro-2,3-dihydro-1H-indole
CID 105435002
(4aS,9bR)-6-(2,4-dichlorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridine
CID 58827019
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
CID 79321406
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
CID 56590209

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole (CID 105498634) is 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole is Clc1ccc2c(c1)NCC2C1CCNCC1.
What is the InChIKey of 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole?
The InChIKey is LOXBLLJCTTVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9/h1-2,7,9,12,15-16H,3-6,8H2.
What are the key properties of 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole?
6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole has a molecular weight of 236.75 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-4-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 105498634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).