3-chloro-6-(piperidin-4-ylmethyl)-1H-indole

C14H17ClN2 — CID 84803651

IUPAC3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
SMILESClc1c[nH]c2cc(CC3CCNCC3)ccc12
InChIInChI=1S/C14H17ClN2/c15-13-9-17-14-8-11(1-2-12(13)14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
InChIKeyBBXRYNIODGMOOK-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole

3-chloro-6-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 84803651) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
PubChem CID84803651
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
SMILESClc1c[nH]c2cc(CC3CCNCC3)ccc12
InChIInChI=1S/C14H17ClN2/c15-13-9-17-14-8-11(1-2-12(13)14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2
InChIKeyBBXRYNIODGMOOK-UHFFFAOYSA-N
XLogP3.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole (CID 84803651) is 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole is Clc1c[nH]c2cc(CC3CCNCC3)ccc12.
What is the InChIKey of 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is BBXRYNIODGMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-13-9-17-14-8-11(1-2-12(13)14)7-10-3-5-16-6-4-10/h1-2,8-10,16-17H,3-7H2.
What are the key properties of 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole?
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 248.76 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 84803651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).