2-[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 19698704

IUPAC2-[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(C)(O)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C24H29NO/c1-23(2,26)17-11-13-25(14-12-17)16-24-15-20(18-7-3-5-9-21(18)24)19-8-4-6-10-22(19)24/h3-10,17,20,26H,11-16H2,1-2H3
InChIKeyHKIRCYPHSLOVNR-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.30
Rot. Bonds3

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

2-[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 19698704) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[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 Name2-[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 CID19698704
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name2-[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(C)(O)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C24H29NO/c1-23(2,26)17-11-13-25(14-12-17)16-24-15-20(18-7-3-5-9-21(18)24)19-8-4-6-10-22(19)24/h3-10,17,20,26H,11-16H2,1-2H3
InChIKeyHKIRCYPHSLOVNR-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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

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Related Compounds

1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(1,1-dimethylethyl)piperidin-4-ol
CID 21480687
1-Methyl-4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine
CID 44296099
4-tert-butyl-1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-ol
CID 9887004
N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine
CID 12507133
N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
CID 12507134
N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
CID 12507137
N,N-dimethyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
CID 12507139
9-gamma-Morpholinopropyl-9,10-dihydro-9,10-methanoanthracene
CID 13069076
9-gamma-Piperidinopropyl-9,10-dihydro-9,10-methanoanthracene
CID 13069077
N-methyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)ethanamine
CID 13069092
1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine
CID 13069099
4-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
CID 13069100

Frequently Asked Questions

What is the IUPAC name of 2-[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 2-[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 19698704) is 2-[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 2-[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 2-[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(C)(O)C1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 2-[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 HKIRCYPHSLOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-23(2,26)17-11-13-25(14-12-17)16-24-15-20(18-7-3-5-9-21(18)24)19-8-4-6-10-22(19)24/h3-10,17,20,26H,11-16H2,1-2H3.
What are the key properties of 2-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol?
2-[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, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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 19698704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).