5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole

C16H19ClN2 — CID 139510161

IUPAC5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole
SMILESClC1(c2ccc3[nH]cc(C4CCNCC4)c3c2)CC1
InChIInChI=1S/C16H19ClN2/c17-16(5-6-16)12-1-2-15-13(9-12)14(10-19-15)11-3-7-18-8-4-11/h1-2,9-11,18-19H,3-8H2
InChIKeyYOEAMOYRNWXBLT-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.86
Rot. Bonds2

About 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole

5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole (PubChem CID 139510161) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole
PubChem CID139510161
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole
SMILESClC1(c2ccc3[nH]cc(C4CCNCC4)c3c2)CC1
InChIInChI=1S/C16H19ClN2/c17-16(5-6-16)12-1-2-15-13(9-12)14(10-19-15)11-3-7-18-8-4-11/h1-2,9-11,18-19H,3-8H2
InChIKeyYOEAMOYRNWXBLT-UHFFFAOYSA-N
XLogP3.86
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole?
The IUPAC name of 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole (CID 139510161) is 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole is ClC1(c2ccc3[nH]cc(C4CCNCC4)c3c2)CC1.
What is the InChIKey of 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole?
The InChIKey is YOEAMOYRNWXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-16(5-6-16)12-1-2-15-13(9-12)14(10-19-15)11-3-7-18-8-4-11/h1-2,9-11,18-19H,3-8H2.
What are the key properties of 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole?
5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole has a molecular weight of 274.79 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 139510161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).