2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

C23H29NO — CID 29730

IUPAC2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H29NO/c25-23(15-8-18-24-16-6-1-7-17-24)21-11-4-2-9-19(21)13-14-20-10-3-5-12-22(20)23/h2-5,9-12,25H,1,6-8,13-18H2
InChIKeyBTIQMEMVSDDJFY-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.29
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (PubChem CID 29730) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
PubChem CID29730
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESOC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H29NO/c25-23(15-8-18-24-16-6-1-7-17-24)21-11-4-2-9-19(21)13-14-20-10-3-5-12-22(20)23/h2-5,9-12,25H,1,6-8,13-18H2
InChIKeyBTIQMEMVSDDJFY-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[2-(methoxymethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]propyl]piperidine
CID 19261385
oxalic acid;2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 23723097
3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl-dimethylazanium chloride
CID 17684
11-(5-pyrrolidin-1-ylpentyl)-5,6-dihydrobenzo[b][1]benzazepine
CID 10131774
2-ethyl-5-[2-(2-piperidin-1-ylethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]-1,3,4-oxadiazole
CID 21448665
11-(3-piperidin-1-ylpropyl)-5,6-dihydrobenzo[b][1]benzazepin-2-amine
CID 89190385
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
4-phenyl-4-(3-piperidin-1-ylpropyl)-2,3-dihydroisoquinolin-1-one
CID 22767232
N-(2,3-dihydro-1H-inden-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 106892883

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (CID 29730) is 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is OC1(CCCN2CCCCC2)c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The InChIKey is BTIQMEMVSDDJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c25-23(15-8-18-24-16-6-1-7-17-24)21-11-4-2-9-19(21)13-14-20-10-3-5-12-22(20)23/h2-5,9-12,25H,1,6-8,13-18H2.
What are the key properties of 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol has a molecular weight of 335.49 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is sourced from PubChem (CID 29730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).