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

C21H24N2 — CID 19381031

IUPAC1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine
SMILESNC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C21H24N2/c22-15-9-11-23(12-10-15)14-21-13-18(16-5-1-3-7-19(16)21)17-6-2-4-8-20(17)21/h1-8,15,18H,9-14,22H2
InChIKeyZDVMDEMFKVUILU-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.24
Rot. Bonds2

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

1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine (PubChem CID 19381031) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine
PubChem CID19381031
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine
SMILESNC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C21H24N2/c22-15-9-11-23(12-10-15)14-21-13-18(16-5-1-3-7-19(16)21)17-6-2-4-8-20(17)21/h1-8,15,18H,9-14,22H2
InChIKeyZDVMDEMFKVUILU-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

9-methylaminopropyl-9,10-dihydro-9,10-methanoanthracene.HCl
CID 198404
1'-(1,2,3,4-Tetrahydronaphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 127034023
9-Aminomethyl-9,10-dihydro-9,10-methanoanthracene
CID 10900179
4-[1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
CID 19380978
N-[2-(9H-fluoren-9-yl)ethyl]-1-phenyl-propan-2-amine
CID 46230707
3-Fluoren-9-ylidenemethyl-piperidine
CID 20778639
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44295990
3-morpholin-4-yl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44296098
1-Methyl-4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine
CID 44296099
US10301253, Example 72
CID 122463393
US10301253, Example 42
CID 122463403
US10301253, Example 63
CID 122463439

Frequently Asked Questions

What is the IUPAC name of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine?
The IUPAC name of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine (CID 19381031) is 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine is NC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine?
The InChIKey is ZDVMDEMFKVUILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c22-15-9-11-23(12-10-15)14-21-13-18(16-5-1-3-7-19(16)21)17-6-2-4-8-20(17)21/h1-8,15,18H,9-14,22H2.
What are the key properties of 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine?
1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-amine is sourced from PubChem (CID 19381031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).