1-[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]ethanol

C23H26ClNO — CID 23185084

IUPAC1-[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]ethanol
SMILESCC(O)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClNO/c1-15(26)16-8-10-25(11-9-16)14-23-13-20(18-4-2-3-5-21(18)23)19-7-6-17(24)12-22(19)23/h2-7,12,15-16,20,26H,8-11,13-14H2,1H3
InChIKeyPKVKLQCGLPEBHN-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.57
Rot. Bonds3

About 1-[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]ethanol

1-[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]ethanol (PubChem CID 23185084) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-[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]ethanol.

Molecular Properties

Compound Name1-[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]ethanol
PubChem CID23185084
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name1-[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]ethanol
SMILESCC(O)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClNO/c1-15(26)16-8-10-25(11-9-16)14-23-13-20(18-4-2-3-5-21(18)23)19-7-6-17(24)12-22(19)23/h2-7,12,15-16,20,26H,8-11,13-14H2,1H3
InChIKeyPKVKLQCGLPEBHN-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[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]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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]ethanol?
The IUPAC name of 1-[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]ethanol (CID 23185084) is 1-[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]ethanol.
What is the SMILES notation for 1-[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]ethanol?
The canonical SMILES for 1-[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]ethanol is CC(O)C1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[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]ethanol?
The InChIKey is PKVKLQCGLPEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-15(26)16-8-10-25(11-9-16)14-23-13-20(18-4-2-3-5-21(18)23)19-7-6-17(24)12-22(19)23/h2-7,12,15-16,20,26H,8-11,13-14H2,1H3.
What are the key properties of 1-[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]ethanol?
1-[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]ethanol has a molecular weight of 367.92 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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]ethanol is sourced from PubChem (CID 23185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).