(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone

C21H19Cl2NO2 — CID 21480604

IUPAC(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)C12CC(c3ccc(Cl)cc31)c1ccc(Cl)cc12
InChIInChI=1S/C21H19Cl2NO2/c22-12-1-3-15-17-11-21(18(15)9-12,19-10-13(23)2-4-16(17)19)20(26)24-7-5-14(25)6-8-24/h1-4,9-10,14,17,25H,5-8,11H2
InChIKeyDPEFGWWXDUXBAZ-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.11
Rot. Bonds1

About (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone

(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 21480604) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID21480604
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCC(O)CC1)C12CC(c3ccc(Cl)cc31)c1ccc(Cl)cc12
InChIInChI=1S/C21H19Cl2NO2/c22-12-1-3-15-17-11-21(18(15)9-12,19-10-13(23)2-4-16(17)19)20(26)24-7-5-14(25)6-8-24/h1-4,9-10,14,17,25H,5-8,11H2
InChIKeyDPEFGWWXDUXBAZ-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone 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
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
ethyl 1-((9RS,10RS)-2-chloro-9,10-dihydro-9,10-methanoanthracen-9-ylcarbonyl)-4-piperidine carboxylate
CID 19698629
1-((9RS,10RS)-2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-formylpiperidine
CID 19698663
1-((9RS,10RS)-2-chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-piperidinemethanol
CID 19698671
(9,10-Dihydro-9,10-methanoanthracen-9-ylcarbonyl)piperidin-4-ol
CID 21480612
1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylcarbonyl)piperidin-4-ol
CID 21480642
1-[(4,12-Dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)methyl]piperidin-4-ol
CID 21480669
4-Tert-butyl-1-[(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)methyl]piperidin-4-ol
CID 21480676
1-[(4,12-Dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)methyl]piperidin-4-one
CID 21480680
1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)piperidin-4-ol
CID 21480682
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

Frequently Asked Questions

What is the IUPAC name of (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 21480604) is (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(N1CCC(O)CC1)C12CC(c3ccc(Cl)cc31)c1ccc(Cl)cc12.
What is the InChIKey of (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is DPEFGWWXDUXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c22-12-1-3-15-17-11-21(18(15)9-12,19-10-13(23)2-4-16(17)19)20(26)24-7-5-14(25)6-8-24/h1-4,9-10,14,17,25H,5-8,11H2.
What are the key properties of (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone?
(4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 388.29 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,12-dichloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 21480604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).