4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine

C25H29ClN2O — CID 19381018

IUPAC4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine
SMILESClc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21
InChIInChI=1S/C25H29ClN2O/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28/h1-6,15,19,22H,7-14,16-17H2
InChIKeyBMIMRQBLGWBFNA-UHFFFAOYSA-N
MW408.97 g/mol
LogP4.27
Rot. Bonds3

About 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine

4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 19381018) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine
PubChem CID19381018
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC Name4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine
SMILESClc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21
InChIInChI=1S/C25H29ClN2O/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28/h1-6,15,19,22H,7-14,16-17H2
InChIKeyBMIMRQBLGWBFNA-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine (CID 19381018) is 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine is Clc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21.
What is the InChIKey of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is BMIMRQBLGWBFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28/h1-6,15,19,22H,7-14,16-17H2.
What are the key properties of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine?
4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 408.97 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 19381018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).