1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol

C24H29NO — CID 67637143

IUPAC1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol
SMILESCC(O)CC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C24H29NO/c1-17(26)14-18-10-12-25(13-11-18)16-24-15-21(19-6-2-4-8-22(19)24)20-7-3-5-9-23(20)24/h2-9,17-18,21,26H,10-16H2,1H3
InChIKeyGESBHPXVISWZGA-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.30
Rot. Bonds4

About 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol

1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol (PubChem CID 67637143) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol
PubChem CID67637143
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol
SMILESCC(O)CC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C24H29NO/c1-17(26)14-18-10-12-25(13-11-18)16-24-15-21(19-6-2-4-8-22(19)24)20-7-3-5-9-23(20)24/h2-9,17-18,21,26H,10-16H2,1H3
InChIKeyGESBHPXVISWZGA-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol (CID 67637143) is 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol is CC(O)CC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol?
The InChIKey is GESBHPXVISWZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-17(26)14-18-10-12-25(13-11-18)16-24-15-21(19-6-2-4-8-22(19)24)20-7-3-5-9-23(20)24/h2-9,17-18,21,26H,10-16H2,1H3.
What are the key properties of 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol?
1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 67637143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).