4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine

C19H26ClN3O — CID 12072043

IUPAC4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine
SMILESClc1ccc2c(C3CCNCC3)cn(CCN3CCOCC3)c2c1
InChIInChI=1S/C19H26ClN3O/c20-16-1-2-17-18(15-3-5-21-6-4-15)14-23(19(17)13-16)8-7-22-9-11-24-12-10-22/h1-2,13-15,21H,3-12H2
InChIKeyPYYNLHFLSRVUIA-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.09
Rot. Bonds4

About 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine

4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine (PubChem CID 12072043) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine
PubChem CID12072043
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine
SMILESClc1ccc2c(C3CCNCC3)cn(CCN3CCOCC3)c2c1
InChIInChI=1S/C19H26ClN3O/c20-16-1-2-17-18(15-3-5-21-6-4-15)14-23(19(17)13-16)8-7-22-9-11-24-12-10-22/h1-2,13-15,21H,3-12H2
InChIKeyPYYNLHFLSRVUIA-UHFFFAOYSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine (CID 12072043) is 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine is Clc1ccc2c(C3CCNCC3)cn(CCN3CCOCC3)c2c1.
What is the InChIKey of 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine?
The InChIKey is PYYNLHFLSRVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c20-16-1-2-17-18(15-3-5-21-6-4-15)14-23(19(17)13-16)8-7-22-9-11-24-12-10-22/h1-2,13-15,21H,3-12H2.
What are the key properties of 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine?
4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine has a molecular weight of 347.89 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine is sourced from PubChem (CID 12072043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).