4-chloro-3-piperidin-4-yl-1H-indole

C13H15ClN2 — CID 22484023

IUPAC4-chloro-3-piperidin-4-yl-1H-indole
SMILESClc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/C13H15ClN2/c14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h1-3,8-9,15-16H,4-7H2
InChIKeyWXBFAQPNLNYCHD-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.29
Rot. Bonds1

About 4-chloro-3-piperidin-4-yl-1H-indole

4-chloro-3-piperidin-4-yl-1H-indole (PubChem CID 22484023) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-3-piperidin-4-yl-1H-indole
PubChem CID22484023
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-3-piperidin-4-yl-1H-indole
SMILESClc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/C13H15ClN2/c14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h1-3,8-9,15-16H,4-7H2
InChIKeyWXBFAQPNLNYCHD-UHFFFAOYSA-N
XLogP3.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-4-yl-1H-indole?
The IUPAC name of 4-chloro-3-piperidin-4-yl-1H-indole (CID 22484023) is 4-chloro-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 4-chloro-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 4-chloro-3-piperidin-4-yl-1H-indole is Clc1cccc2[nH]cc(C3CCNCC3)c12.
What is the InChIKey of 4-chloro-3-piperidin-4-yl-1H-indole?
The InChIKey is WXBFAQPNLNYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h1-3,8-9,15-16H,4-7H2.
What are the key properties of 4-chloro-3-piperidin-4-yl-1H-indole?
4-chloro-3-piperidin-4-yl-1H-indole has a molecular weight of 234.73 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 22484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).