5-chloro-2-(piperidin-1-ylmethyl)-1H-indole

C14H17ClN2 — CID 117176618

IUPAC5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
SMILESClc1ccc2[nH]c(CN3CCCCC3)cc2c1
InChIInChI=1S/C14H17ClN2/c15-12-4-5-14-11(8-12)9-13(16-14)10-17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7,10H2
InChIKeyJKKJDOYUFBXIPS-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.81
Rot. Bonds2

About 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole

5-chloro-2-(piperidin-1-ylmethyl)-1H-indole (PubChem CID 117176618) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
PubChem CID117176618
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
SMILESClc1ccc2[nH]c(CN3CCCCC3)cc2c1
InChIInChI=1S/C14H17ClN2/c15-12-4-5-14-11(8-12)9-13(16-14)10-17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7,10H2
InChIKeyJKKJDOYUFBXIPS-UHFFFAOYSA-N
XLogP3.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 66670945
2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
CID 84681236
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448
1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine
CID 86052846
[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179946
5-bromo-2-(piperazin-1-ylmethyl)-1H-indole
CID 117176636
1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one
CID 11646767
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
CID 10498094
[1-[(5-chloro-1H-indol-2-yl)methyl]piperidin-2-yl]methyl N,N-dimethylcarbamate
CID 166380330
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 125481816
5-chloro-2-(ethoxymethyl)-1H-indole
CID 117176866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole (CID 117176618) is 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole is Clc1ccc2[nH]c(CN3CCCCC3)cc2c1.
What is the InChIKey of 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole?
The InChIKey is JKKJDOYUFBXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-12-4-5-14-11(8-12)9-13(16-14)10-17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7,10H2.
What are the key properties of 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole?
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole has a molecular weight of 248.76 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 117176618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).