8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine

C20H27ClN2O — CID 90750006

IUPAC8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine
SMILESClC1=CC2C(C=C1)OC1=CCCC=C1N2CCCN1CCCCC1
InChIInChI=1S/C20H27ClN2O/c21-16-9-10-20-18(15-16)23(17-7-2-3-8-19(17)24-20)14-6-13-22-11-4-1-5-12-22/h7-10,15,18,20H,1-6,11-14H2
InChIKeyPIPRCRNSZYAYQF-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.19
Rot. Bonds4

About 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine

8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine (PubChem CID 90750006) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine.

Molecular Properties

Compound Name8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine
PubChem CID90750006
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine
SMILESClC1=CC2C(C=C1)OC1=CCCC=C1N2CCCN1CCCCC1
InChIInChI=1S/C20H27ClN2O/c21-16-9-10-20-18(15-16)23(17-7-2-3-8-19(17)24-20)14-6-13-22-11-4-1-5-12-22/h7-10,15,18,20H,1-6,11-14H2
InChIKeyPIPRCRNSZYAYQF-UHFFFAOYSA-N
XLogP4.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine?
The IUPAC name of 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine (CID 90750006) is 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine.
What is the SMILES notation for 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine?
The canonical SMILES for 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine is ClC1=CC2C(C=C1)OC1=CCCC=C1N2CCCN1CCCCC1.
What is the InChIKey of 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine?
The InChIKey is PIPRCRNSZYAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-16-9-10-20-18(15-16)23(17-7-2-3-8-19(17)24-20)14-6-13-22-11-4-1-5-12-22/h7-10,15,18,20H,1-6,11-14H2.
What are the key properties of 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine?
8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine has a molecular weight of 346.90 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine is sourced from PubChem (CID 90750006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).