(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone

C21H21NO2 — CID 21480612

IUPAC(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
SMILESO=C(N1CCC(O)CC1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C21H21NO2/c23-14-9-11-22(12-10-14)20(24)21-13-17(15-5-1-3-7-18(15)21)16-6-2-4-8-19(16)21/h1-8,14,17,23H,9-13H2
InChIKeyWTNUJWCTVHBNEP-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.81
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone

(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone (PubChem CID 21480612) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
PubChem CID21480612
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone
SMILESO=C(N1CCC(O)CC1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C21H21NO2/c23-14-9-11-22(12-10-14)20(24)21-13-17(15-5-1-3-7-18(15)21)16-6-2-4-8-19(16)21/h1-8,14,17,23H,9-13H2
InChIKeyWTNUJWCTVHBNEP-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 67637424
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-yn-1-one
CID 43502658
1-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]-3-phenylurea
CID 6487848
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66395557
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
3,4-dihydro-1H-isothiochromen-1-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561335

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone (CID 21480612) is (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone is O=C(N1CCC(O)CC1)C12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
The InChIKey is WTNUJWCTVHBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-14-9-11-22(12-10-14)20(24)21-13-17(15-5-1-3-7-18(15)21)16-6-2-4-8-19(16)21/h1-8,14,17,23H,9-13H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone?
(4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone has a molecular weight of 319.40 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanone is sourced from PubChem (CID 21480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).